1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide

C16H24N2O2 — CID 80587190

IUPAC1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(CN)CC(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-9-16(10-12,11-17)15(19)18-8-7-13-3-5-14(20-2)6-4-13/h3-6,12H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyWLMWVUQSZPIMLQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80587190) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80587190
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(CN)CC(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-9-16(10-12,11-17)15(19)18-8-7-13-3-5-14(20-2)6-4-13/h3-6,12H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyWLMWVUQSZPIMLQ-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
1-(aminomethyl)-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 80588204
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
1-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 80587959
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide (CID 80587190) is 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide is COc1ccc(CCNC(=O)C2(CN)CC(C)C2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is WLMWVUQSZPIMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-16(10-12,11-17)15(19)18-8-7-13-3-5-14(20-2)6-4-13/h3-6,12H,7-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80587190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).