N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide

C24H32N2O2 — CID 7409928

IUPACN,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(13-15-21-9-5-3-6-10-21)25-23(27)17-18-24(28)26-20(2)14-16-22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3,(H,25,27)(H,26,28)/t19-,20-/m0/s1
InChIKeyVXNAOWWIQQHKSN-PMACEKPBSA-N
MW380.53 g/mol
LogP4.04
Rot. Bonds11

About N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide

N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide (PubChem CID 7409928) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
PubChem CID7409928
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(13-15-21-9-5-3-6-10-21)25-23(27)17-18-24(28)26-20(2)14-16-22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3,(H,25,27)(H,26,28)/t19-,20-/m0/s1
InChIKeyVXNAOWWIQQHKSN-PMACEKPBSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide
CID 51362452
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7372940

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide?
The IUPAC name of N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide (CID 7409928) is N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide.
What is the SMILES notation for N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide?
The canonical SMILES for N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide is C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide?
The InChIKey is VXNAOWWIQQHKSN-PMACEKPBSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19(13-15-21-9-5-3-6-10-21)25-23(27)17-18-24(28)26-20(2)14-16-22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3,(H,25,27)(H,26,28)/t19-,20-/m0/s1.
What are the key properties of N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide?
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide has a molecular weight of 380.53 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide is sourced from PubChem (CID 7409928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).