N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide

C22H26N2O3 — CID 124777410

IUPACN-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-14-12-19(14)22(27)24-18-10-8-17(9-11-18)21(26)23-15(2)20(25)13-16-6-4-3-5-7-16/h3-11,14-15,19-20,25H,12-13H2,1-2H3,(H,23,26)(H,24,27)/t14-,15+,19+,20+/m1/s1
InChIKeyLOUWJFUMSUJOCZ-QBTDHISASA-N
MW366.46 g/mol
LogP3.00
Rot. Bonds7

About N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide

N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 124777410) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID124777410
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-14-12-19(14)22(27)24-18-10-8-17(9-11-18)21(26)23-15(2)20(25)13-16-6-4-3-5-7-16/h3-11,14-15,19-20,25H,12-13H2,1-2H3,(H,23,26)(H,24,27)/t14-,15+,19+,20+/m1/s1
InChIKeyLOUWJFUMSUJOCZ-QBTDHISASA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide with MolForge

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Related Compounds

(2S,3S)-3-methyl-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]pentanoic acid
CID 119194021
4-[(2-methylcyclopropanecarbonyl)amino]-N-(4-methyl-4-phenylpentan-2-yl)benzamide
CID 60591962
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55877687
4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 120702208
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 55651793
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide
CID 99826524
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60593361
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 124777410) is N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide is C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is LOUWJFUMSUJOCZ-QBTDHISASA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-12-19(14)22(27)24-18-10-8-17(9-11-18)21(26)23-15(2)20(25)13-16-6-4-3-5-7-16/h3-11,14-15,19-20,25H,12-13H2,1-2H3,(H,23,26)(H,24,27)/t14-,15+,19+,20+/m1/s1.
What are the key properties of N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 124777410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).