(2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)

C45H74N6O5W2Y2 — CID 159679220

IUPAC(2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)
SMILESCCc1ccc(NC(=O)[C@H](C)CC(=O)C(NC(C)(C)C)C(C)C)cc1.CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)C(NC(C)(C)C)C(C)C)cc1.[W].[W].[Y].[Y]
InChIInChI=1S/C24H40N4O3.C21H34N2O2.2W.2Y/c1-7-17-10-12-19(13-11-17)27-22(30)18(9-8-14-26-23(25)31)15-20(29)21(16(2)3)28-24(4,5)6;1-8-16-9-11-17(12-10-16)22-20(25)15(4)13-18(24)19(14(2)3)23-21(5,6)7;;;;/h10-13,16,18,21,28H,7-9,14-15H2,1-6H3,(H,27,30)(H3,25,26,31);9-12,14-15,19,23H,8,13H2,1-7H3,(H,22,25);;;;/t18-,21?;15-,19?;;;;/m11..../s1
InChIKeyMUZSUYDYVVYTRF-XUFZZHEUSA-N
MW1324.62 g/mol
LogP7.81
Rot. Bonds20

About (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)

(2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium) (PubChem CID 159679220) has the molecular formula C45H74N6O5W2Y2 and a molecular weight of 1324.62 g/mol. Its IUPAC name is (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium).

Molecular Properties

Compound Name(2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)
PubChem CID159679220
Molecular FormulaC45H74N6O5W2Y2
Molecular Weight1324.62 g/mol
Exact Mass1324.29
IUPAC Name(2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)
SMILESCCc1ccc(NC(=O)[C@H](C)CC(=O)C(NC(C)(C)C)C(C)C)cc1.CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)C(NC(C)(C)C)C(C)C)cc1.[W].[W].[Y].[Y]
InChIInChI=1S/C24H40N4O3.C21H34N2O2.2W.2Y/c1-7-17-10-12-19(13-11-17)27-22(30)18(9-8-14-26-23(25)31)15-20(29)21(16(2)3)28-24(4,5)6;1-8-16-9-11-17(12-10-16)22-20(25)15(4)13-18(24)19(14(2)3)23-21(5,6)7;;;;/h10-13,16,18,21,28H,7-9,14-15H2,1-6H3,(H,27,30)(H3,25,26,31);9-12,14-15,19,23H,8,13H2,1-7H3,(H,22,25);;;;/t18-,21?;15-,19?;;;;/m11..../s1
InChIKeyMUZSUYDYVVYTRF-XUFZZHEUSA-N
XLogP7.81
TPSA171.52 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001324.62
LogP ≤ 57.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium) with MolForge

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Related Compounds

[4-[[5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 148861047
(2R)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide
CID 158648208
(2R,5S)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxo-5-(propan-2-ylamino)heptanamide;(2R,5S)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxo-5-(propan-2-ylamino)heptanamide;(2R,5S)-N-(4-ethylphenyl)-4-oxo-6-phenyl-2-[4-(phosphanylamino)butyl]-5-(propan-2-ylamino)hexanamide
CID 159163316
(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-(4,4-dimethylpentoxy)propanoylamino]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide
CID 163499254
[4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-(2,2-dimethylpropanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 165088520
tert-butyl N-[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamate
CID 157104544
[4-[[2-[3-(carbamoylamino)propyl]-5-(2,2-dimethylpropanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 164947160
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl N-[(3S,6R)-9-(carbamoylamino)-6-[(4-ethylphenyl)carbamoyl]-2-methyl-4-oxononan-3-yl]carbamate
CID 159136029
[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-5-(heptanoylamino)-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 157248877
[4-[[(2S)-2-[[2-(tert-butylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl acetate
CID 126571314
[4-[[(2S)-2-[[(2S)-2-(tert-butylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 129102134
[4-[[(2R,5S)-5-[[(2R)-6-(tert-butylamino)-2-(2-oxopropyl)hexanoyl]amino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 147351584

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)?
The IUPAC name of (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium) (CID 159679220) is (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium).
What is the SMILES notation for (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)?
The canonical SMILES for (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium) is CCc1ccc(NC(=O)[C@H](C)CC(=O)C(NC(C)(C)C)C(C)C)cc1.CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)C(NC(C)(C)C)C(C)C)cc1.[W].[W].[Y].[Y].
What is the InChIKey of (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)?
The InChIKey is MUZSUYDYVVYTRF-XUFZZHEUSA-N. The full InChI is InChI=1S/C24H40N4O3.C21H34N2O2.2W.2Y/c1-7-17-10-12-19(13-11-17)27-22(30)18(9-8-14-26-23(25)31)15-20(29)21(16(2)3)28-24(4,5)6;1-8-16-9-11-17(12-10-16)22-20(25)15(4)13-18(24)19(14(2)3)23-21(5,6)7;;;;/h10-13,16,18,21,28H,7-9,14-15H2,1-6H3,(H,27,30)(H3,25,26,31);9-12,14-15,19,23H,8,13H2,1-7H3,(H,22,25);;;;/t18-,21?;15-,19?;;;;/m11..../s1.
What are the key properties of (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium)?
(2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium) has a molecular weight of 1324.62 g/mol, XLogP of 7.81, 20 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(tert-butylamino)-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide;(2R)-5-(tert-butylamino)-N-(4-ethylphenyl)-2,6-dimethyl-4-oxoheptanamide;tungsten;bis(yttrium) is sourced from PubChem (CID 159679220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).