N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide

C14H22N2O2 — CID 113266225

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-15-9-4-7-14(17)16-10-8-12-5-3-6-13(11-12)18-2/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyQDQKRROZZQNOAR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide

N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide (PubChem CID 113266225) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
PubChem CID113266225
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-15-9-4-7-14(17)16-10-8-12-5-3-6-13(11-12)18-2/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyQDQKRROZZQNOAR-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
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

4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide (CID 113266225) is N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCc1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
The InChIKey is QDQKRROZZQNOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-9-4-7-14(17)16-10-8-12-5-3-6-13(11-12)18-2/h3,5-6,11,15H,4,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide?
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 113266225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).