4-[(2-methoxyphenyl)methylamino]butanamide

C12H18N2O2 — CID 60863188

IUPAC4-[(2-methoxyphenyl)methylamino]butanamide
SMILESCOc1ccccc1CNCCCC(N)=O
InChIInChI=1S/C12H18N2O2/c1-16-11-6-3-2-5-10(11)9-14-8-4-7-12(13)15/h2-3,5-6,14H,4,7-9H2,1H3,(H2,13,15)
InChIKeyYJICLZFRSFZGQE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds7

About 4-[(2-methoxyphenyl)methylamino]butanamide

4-[(2-methoxyphenyl)methylamino]butanamide (PubChem CID 60863188) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylamino]butanamide
PubChem CID60863188
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[(2-methoxyphenyl)methylamino]butanamide
SMILESCOc1ccccc1CNCCCC(N)=O
InChIInChI=1S/C12H18N2O2/c1-16-11-6-3-2-5-10(11)9-14-8-4-7-12(13)15/h2-3,5-6,14H,4,7-9H2,1H3,(H2,13,15)
InChIKeyYJICLZFRSFZGQE-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
CID 114162271
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
4-[(2-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
3-[(2-methoxyphenyl)methylamino]propyl butanoate
CID 82533093
5-[(2-methoxyphenyl)methylamino]pentyl acetate
CID 82533082
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
CID 106234716
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]butanamide
CID 60864309
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylamino]butanamide?
The IUPAC name of 4-[(2-methoxyphenyl)methylamino]butanamide (CID 60863188) is 4-[(2-methoxyphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methylamino]butanamide is COc1ccccc1CNCCCC(N)=O.
What is the InChIKey of 4-[(2-methoxyphenyl)methylamino]butanamide?
The InChIKey is YJICLZFRSFZGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-11-6-3-2-5-10(11)9-14-8-4-7-12(13)15/h2-3,5-6,14H,4,7-9H2,1H3,(H2,13,15).
What are the key properties of 4-[(2-methoxyphenyl)methylamino]butanamide?
4-[(2-methoxyphenyl)methylamino]butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methylamino]butanamide is sourced from PubChem (CID 60863188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).