N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide

C22H28N2O4 — CID 102096047

IUPACN,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
SMILESO=C(CCC(=O)N[C@H](CO)Cc1ccccc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C22H28N2O4/c25-15-19(13-17-7-3-1-4-8-17)23-21(27)11-12-22(28)24-20(16-26)14-18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,23,27)(H,24,28)/t19-,20-/m0/s1
InChIKeyNAOJZKZJLUKERY-PMACEKPBSA-N
MW384.48 g/mol
LogP1.21
Rot. Bonds11

About N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide (PubChem CID 102096047) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
PubChem CID102096047
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
SMILESO=C(CCC(=O)N[C@H](CO)Cc1ccccc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C22H28N2O4/c25-15-19(13-17-7-3-1-4-8-17)23-21(27)11-12-22(28)24-20(16-26)14-18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,23,27)(H,24,28)/t19-,20-/m0/s1
InChIKeyNAOJZKZJLUKERY-PMACEKPBSA-N
XLogP1.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate
CID 156622371
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
The IUPAC name of N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide (CID 102096047) is N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide.
What is the SMILES notation for N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
The canonical SMILES for N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide is O=C(CCC(=O)N[C@H](CO)Cc1ccccc1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
The InChIKey is NAOJZKZJLUKERY-PMACEKPBSA-N. The full InChI is InChI=1S/C22H28N2O4/c25-15-19(13-17-7-3-1-4-8-17)23-21(27)11-12-22(28)24-20(16-26)14-18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,23,27)(H,24,28)/t19-,20-/m0/s1.
What are the key properties of N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide?
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide has a molecular weight of 384.48 g/mol, XLogP of 1.21, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide is sourced from PubChem (CID 102096047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).