(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide

C32H32N2O2 — CID 141017651

IUPAC(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESNC(=O)C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O2/c33-30(35)23-29(18-10-11-24-19-21-26(22-20-24)25-12-4-1-5-13-25)32(36)34-31(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,19-22,29,31H,10-11,18,23H2,(H2,33,35)(H,34,36)/t29-/m1/s1
InChIKeyRFTZQZZZXKFTRP-GDLZYMKVSA-N
MW476.62 g/mol
LogP6.07
Rot. Bonds11

About (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide

(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide (PubChem CID 141017651) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide
PubChem CID141017651
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESNC(=O)C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O2/c33-30(35)23-29(18-10-11-24-19-21-26(22-20-24)25-12-4-1-5-13-25)32(36)34-31(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,19-22,29,31H,10-11,18,23H2,(H2,33,35)(H,34,36)/t29-/m1/s1
InChIKeyRFTZQZZZXKFTRP-GDLZYMKVSA-N
XLogP6.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid
CID 70183878
4-amino-4-oxo-2-(2-phenylethyl)butanoic acid
CID 67288843
N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide
CID 139919251
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-[4-(trifluoromethyl)phenyl]propyl]butanediamide
CID 18666371
3-[[1-[3-(2-aminoethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid
CID 54119309
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
3-[(1-amino-4-methyl-1-oxopentan-2-yl)carbamoyl]-6-[4-(3-hydroxypropyl)phenyl]hexanoic acid
CID 141017603
3-[(1-amino-4-methyl-1-oxopentan-2-yl)carbamoyl]-6-[4-(2-hydroxyethyl)phenyl]hexanoic acid
CID 141017676
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
6-(4-phenylphenyl)-3-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]hexanoic acid
CID 54358918
N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide
CID 54175331

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide?
The IUPAC name of (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide (CID 141017651) is (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide?
The canonical SMILES for (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide is NC(=O)C[C@@H](CCCc1ccc(-c2ccccc2)cc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide?
The InChIKey is RFTZQZZZXKFTRP-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H32N2O2/c33-30(35)23-29(18-10-11-24-19-21-26(22-20-24)25-12-4-1-5-13-25)32(36)34-31(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,12-17,19-22,29,31H,10-11,18,23H2,(H2,33,35)(H,34,36)/t29-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide?
(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide has a molecular weight of 476.62 g/mol, XLogP of 6.07, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide is sourced from PubChem (CID 141017651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).