N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide

C24H32N2O4 — CID 23651041

IUPACN-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESCOC(CNC(=O)[C@H](C(C)C)N(C(=O)c1ccccc1)[C@@H](C)c1ccccc1)OC
InChIInChI=1S/C24H32N2O4/c1-17(2)22(23(27)25-16-21(29-4)30-5)26(18(3)19-12-8-6-9-13-19)24(28)20-14-10-7-11-15-20/h6-15,17-18,21-22H,16H2,1-5H3,(H,25,27)/t18-,22-/m0/s1
InChIKeyWFFPEWVBENBDEI-AVRDEDQJSA-N
MW412.53 g/mol
LogP3.65
Rot. Bonds10

About N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide

N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 23651041) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID23651041
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESCOC(CNC(=O)[C@H](C(C)C)N(C(=O)c1ccccc1)[C@@H](C)c1ccccc1)OC
InChIInChI=1S/C24H32N2O4/c1-17(2)22(23(27)25-16-21(29-4)30-5)26(18(3)19-12-8-6-9-13-19)24(28)20-14-10-7-11-15-20/h6-15,17-18,21-22H,16H2,1-5H3,(H,25,27)/t18-,22-/m0/s1
InChIKeyWFFPEWVBENBDEI-AVRDEDQJSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide
CID 170991428

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide (CID 23651041) is N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide is COC(CNC(=O)[C@H](C(C)C)N(C(=O)c1ccccc1)[C@@H](C)c1ccccc1)OC.
What is the InChIKey of N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is WFFPEWVBENBDEI-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-17(2)22(23(27)25-16-21(29-4)30-5)26(18(3)19-12-8-6-9-13-19)24(28)20-14-10-7-11-15-20/h6-15,17-18,21-22H,16H2,1-5H3,(H,25,27)/t18-,22-/m0/s1.
What are the key properties of N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide?
N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 23651041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).