(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide

C25H34N2O2 — CID 7324001

IUPAC(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C25H34N2O2/c1-18(2)22-12-14-23(15-13-22)27-25(29)17-19(3)16-24(28)26-20(4)10-11-21-8-6-5-7-9-21/h5-9,12-15,18-20H,10-11,16-17H2,1-4H3,(H,26,28)(H,27,29)/t19-,20-/m1/s1
InChIKeySFXMBSZGVOBVCX-WOJBJXKFSA-N
MW394.56 g/mol
LogP5.30
Rot. Bonds10

About (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide

(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide (PubChem CID 7324001) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
PubChem CID7324001
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C25H34N2O2/c1-18(2)22-12-14-23(15-13-22)27-25(29)17-19(3)16-24(28)26-20(4)10-11-21-8-6-5-7-9-21/h5-9,12-15,18-20H,10-11,16-17H2,1-4H3,(H,26,28)(H,27,29)/t19-,20-/m1/s1
InChIKeySFXMBSZGVOBVCX-WOJBJXKFSA-N
XLogP5.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-(4-chlorophenyl)-N'-[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7316761
N-(4-chlorophenyl)-N'-[(2R)-4-phenylbutan-2-yl]butanediamide
CID 7316762
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium
CID 9167007
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-(4-fluorophenyl)-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]acetamide
CID 41168003

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide?
The IUPAC name of (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide (CID 7324001) is (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide.
What is the SMILES notation for (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide?
The canonical SMILES for (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide is CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide?
The InChIKey is SFXMBSZGVOBVCX-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18(2)22-12-14-23(15-13-22)27-25(29)17-19(3)16-24(28)26-20(4)10-11-21-8-6-5-7-9-21/h5-9,12-15,18-20H,10-11,16-17H2,1-4H3,(H,26,28)(H,27,29)/t19-,20-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide?
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide has a molecular weight of 394.56 g/mol, XLogP of 5.30, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide is sourced from PubChem (CID 7324001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).