4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide

C12H18N2O2 — CID 107231147

IUPAC4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C12H18N2O2/c13-7-1-2-12(16)14-8-10-3-5-11(9-15)6-4-10/h3-6,15H,1-2,7-9,13H2,(H,14,16)
InChIKeyXGGYFNQKJCZUKK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds6

About 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide

4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide (PubChem CID 107231147) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
PubChem CID107231147
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C12H18N2O2/c13-7-1-2-12(16)14-8-10-3-5-11(9-15)6-4-10/h3-6,15H,1-2,7-9,13H2,(H,14,16)
InChIKeyXGGYFNQKJCZUKK-UHFFFAOYSA-N
XLogP0.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
6-[[4-(hydroxymethyl)phenyl]methylamino]-6-oxohexanoic acid
CID 107229596
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
ethyl 4-[(4-aminobutanoylamino)methyl]benzoate
CID 119302074
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692
4-[(7-aminoheptanoylamino)methyl]-N,N-dimethylbenzamide
CID 119701704
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide (CID 107231147) is 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide is NCCCC(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide?
The InChIKey is XGGYFNQKJCZUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-7-1-2-12(16)14-8-10-3-5-11(9-15)6-4-10/h3-6,15H,1-2,7-9,13H2,(H,14,16).
What are the key properties of 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide?
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide has a molecular weight of 222.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 107231147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).