N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide

C15H24N2O2 — CID 54874164

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)16-9-5-8-15(19)17(3)11-13-6-4-7-14(18)10-13/h4,6-7,10,12,16,18H,5,8-9,11H2,1-3H3
InChIKeyABGISCAZLPJTSZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.13
Rot. Bonds7

About N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide

N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide (PubChem CID 54874164) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
PubChem CID54874164
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)16-9-5-8-15(19)17(3)11-13-6-4-7-14(18)10-13/h4,6-7,10,12,16,18H,5,8-9,11H2,1-3H3
InChIKeyABGISCAZLPJTSZ-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54873535
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591
(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide
CID 75407643
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide (CID 54874164) is N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)N(C)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The InChIKey is ABGISCAZLPJTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)16-9-5-8-15(19)17(3)11-13-6-4-7-14(18)10-13/h4,6-7,10,12,16,18H,5,8-9,11H2,1-3H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54874164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).