N-benzyl-3-(2-hydroxypropylamino)propanamide

C13H20N2O2 — CID 54048354

IUPACN-benzyl-3-(2-hydroxypropylamino)propanamide
SMILESCC(O)CNCCC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(16)9-14-8-7-13(17)15-10-12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3,(H,15,17)
InChIKeyLRDLEDVMNFDZGD-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.66
Rot. Bonds7

About N-benzyl-3-(2-hydroxypropylamino)propanamide

N-benzyl-3-(2-hydroxypropylamino)propanamide (PubChem CID 54048354) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-benzyl-3-(2-hydroxypropylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-hydroxypropylamino)propanamide
PubChem CID54048354
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-benzyl-3-(2-hydroxypropylamino)propanamide
SMILESCC(O)CNCCC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(16)9-14-8-7-13(17)15-10-12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3,(H,15,17)
InChIKeyLRDLEDVMNFDZGD-UHFFFAOYSA-N
XLogP0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
N-benzyl-4,4-difluorobutanamide
CID 132965820
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-hydroxypropylamino)propanamide?
The IUPAC name of N-benzyl-3-(2-hydroxypropylamino)propanamide (CID 54048354) is N-benzyl-3-(2-hydroxypropylamino)propanamide.
What is the SMILES notation for N-benzyl-3-(2-hydroxypropylamino)propanamide?
The canonical SMILES for N-benzyl-3-(2-hydroxypropylamino)propanamide is CC(O)CNCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-hydroxypropylamino)propanamide?
The InChIKey is LRDLEDVMNFDZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(16)9-14-8-7-13(17)15-10-12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3,(H,15,17).
What are the key properties of N-benzyl-3-(2-hydroxypropylamino)propanamide?
N-benzyl-3-(2-hydroxypropylamino)propanamide has a molecular weight of 236.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-hydroxypropylamino)propanamide is sourced from PubChem (CID 54048354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).