N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide

C26H37N3O2 — CID 175552079

IUPACN-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide
SMILESCCC(=O)NCc1ccccc1.NC(=O)[C@@H](CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H24N2O.C10H13NO/c17-16(19)15(18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-10(12)11-8-9-6-4-3-5-7-9/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H2,17,19);3-7H,2,8H2,1H3,(H,11,12)/t15-;/m1./s1
InChIKeyWZQXHXPGYWGGCH-XFULWGLBSA-N
MW423.60 g/mol
LogP4.11
Rot. Bonds9

About N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide

N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide (PubChem CID 175552079) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide.

Molecular Properties

Compound NameN-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide
PubChem CID175552079
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide
SMILESCCC(=O)NCc1ccccc1.NC(=O)[C@@H](CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H24N2O.C10H13NO/c17-16(19)15(18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-10(12)11-8-9-6-4-3-5-7-9/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H2,17,19);3-7H,2,8H2,1H3,(H,11,12)/t15-;/m1./s1
InChIKeyWZQXHXPGYWGGCH-XFULWGLBSA-N
XLogP4.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopentylamino)-4-phenylbutanoate
CID 62881627
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
benzyl N-[amino-[4-[[[(2R,5R)-5-(cyclohexylamino)-2-methyl-4-oxo-7-phenylheptanoyl]amino]methyl]phenyl]methylidene]carbamate
CID 159773774
(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide
CID 175552219
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
2-acetamido-4-phenylbutanamide
CID 67451841
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]azocan-1-yl]acetic acid
CID 70477640
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459

Frequently Asked Questions

What is the IUPAC name of N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide?
The IUPAC name of N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide (CID 175552079) is N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide.
What is the SMILES notation for N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide?
The canonical SMILES for N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide is CCC(=O)NCc1ccccc1.NC(=O)[C@@H](CCc1ccccc1)NC1CCCCC1.
What is the InChIKey of N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide?
The InChIKey is WZQXHXPGYWGGCH-XFULWGLBSA-N. The full InChI is InChI=1S/C16H24N2O.C10H13NO/c17-16(19)15(18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-10(12)11-8-9-6-4-3-5-7-9/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H2,17,19);3-7H,2,8H2,1H3,(H,11,12)/t15-;/m1./s1.
What are the key properties of N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide?
N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide has a molecular weight of 423.60 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide is sourced from PubChem (CID 175552079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).