4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide

C12H18N2O3 — CID 60865183

IUPAC4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
SMILESCOc1cc(CNCCCC(N)=O)ccc1O
InChIInChI=1S/C12H18N2O3/c1-17-11-7-9(4-5-10(11)15)8-14-6-2-3-12(13)16/h4-5,7,14-15H,2-3,6,8H2,1H3,(H2,13,16)
InChIKeyQJRJSOHOZCCFAP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.76
Rot. Bonds7

About 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide

4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide (PubChem CID 60865183) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
PubChem CID60865183
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
SMILESCOc1cc(CNCCCC(N)=O)ccc1O
InChIInChI=1S/C12H18N2O3/c1-17-11-7-9(4-5-10(11)15)8-14-6-2-3-12(13)16/h4-5,7,14-15H,2-3,6,8H2,1H3,(H2,13,16)
InChIKeyQJRJSOHOZCCFAP-UHFFFAOYSA-N
XLogP0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
CID 28646730
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 54932020
2-methoxy-4-[(2-methylsulfinylethylamino)methyl]phenol
CID 115978630
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide?
The IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide (CID 60865183) is 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide is COc1cc(CNCCCC(N)=O)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide?
The InChIKey is QJRJSOHOZCCFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-11-7-9(4-5-10(11)15)8-14-6-2-3-12(13)16/h4-5,7,14-15H,2-3,6,8H2,1H3,(H2,13,16).
What are the key properties of 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide?
4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide has a molecular weight of 238.29 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide is sourced from PubChem (CID 60865183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).