2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide

C12H18N2O2 — CID 107230915

IUPAC2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide
SMILESCCC(NCc1ccc(CO)cc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-2-11(12(13)16)14-7-9-3-5-10(8-15)6-4-9/h3-6,11,14-15H,2,7-8H2,1H3,(H2,13,16)
InChIKeyAIGDKSJRERGRFV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds6

About 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide

2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide (PubChem CID 107230915) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide
PubChem CID107230915
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide
SMILESCCC(NCc1ccc(CO)cc1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-2-11(12(13)16)14-7-9-3-5-10(8-15)6-4-9/h3-6,11,14-15H,2,7-8H2,1H3,(H2,13,16)
InChIKeyAIGDKSJRERGRFV-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

(2S)-2-(benzylamino)butanamide
CID 131998527
2-[[4-(hydroxymethyl)phenyl]methylamino]-3-methoxypropanoic acid
CID 107232541
2-(1,2-oxazol-5-ylmethylamino)butanamide
CID 106417605
2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 79503018
3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide
CID 77328442
3-[[4-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230789
2-(benzylamino)-4,4-dimethylpentanamide
CID 62949870
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
deuteriomethyl 2-(benzylamino)butanoate
CID 170776143
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
2-(2-aminoethylamino)butanamide
CID 62900229
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
CID 107231413

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide (CID 107230915) is 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide is CCC(NCc1ccc(CO)cc1)C(N)=O.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide?
The InChIKey is AIGDKSJRERGRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-11(12(13)16)14-7-9-3-5-10(8-15)6-4-9/h3-6,11,14-15H,2,7-8H2,1H3,(H2,13,16).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide?
2-[[4-(hydroxymethyl)phenyl]methylamino]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 2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide is sourced from PubChem (CID 107230915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).