N-benzyl-3-(benzylamino)-4-hydroxybutanamide

C18H22N2O2 — CID 3967308

IUPACN-benzyl-3-(benzylamino)-4-hydroxybutanamide
SMILESO=C(CC(CO)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-14-17(19-12-15-7-3-1-4-8-15)11-18(22)20-13-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyVXVMQZRTMSIEGT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.84
Rot. Bonds8

About N-benzyl-3-(benzylamino)-4-hydroxybutanamide

N-benzyl-3-(benzylamino)-4-hydroxybutanamide (PubChem CID 3967308) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-3-(benzylamino)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-benzyl-3-(benzylamino)-4-hydroxybutanamide
PubChem CID3967308
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-benzyl-3-(benzylamino)-4-hydroxybutanamide
SMILESO=C(CC(CO)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H22N2O2/c21-14-17(19-12-15-7-3-1-4-8-15)11-18(22)20-13-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyVXVMQZRTMSIEGT-UHFFFAOYSA-N
XLogP1.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N1-benzyl-N3-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N3-methylmalonamide
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N-(4-fluorobenzyl)-4-hydroxybutanamide
CID 2811149
N-benzyl-3-(benzylamino)propanamide
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(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 44381941
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 44382028
(2S,3R)-3-amino-3-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 44382789
N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
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CID 3791937
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(benzylamino)-4-hydroxybutanamide?
The IUPAC name of N-benzyl-3-(benzylamino)-4-hydroxybutanamide (CID 3967308) is N-benzyl-3-(benzylamino)-4-hydroxybutanamide.
What is the SMILES notation for N-benzyl-3-(benzylamino)-4-hydroxybutanamide?
The canonical SMILES for N-benzyl-3-(benzylamino)-4-hydroxybutanamide is O=C(CC(CO)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(benzylamino)-4-hydroxybutanamide?
The InChIKey is VXVMQZRTMSIEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-14-17(19-12-15-7-3-1-4-8-15)11-18(22)20-13-16-9-5-2-6-10-16/h1-10,17,19,21H,11-14H2,(H,20,22).
What are the key properties of N-benzyl-3-(benzylamino)-4-hydroxybutanamide?
N-benzyl-3-(benzylamino)-4-hydroxybutanamide has a molecular weight of 298.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(benzylamino)-4-hydroxybutanamide is sourced from PubChem (CID 3967308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).