1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide

C14H20N2O3 — CID 80588722

IUPAC1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(CN)CCC2)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)16-13(17)14(9-15)4-3-5-14/h6-8H,3-5,9,15H2,1-2H3,(H,16,17)
InChIKeyVWZCJIVREWCDPG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.77
Rot. Bonds5

About 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 80588722) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
PubChem CID80588722
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(CN)CCC2)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)16-13(17)14(9-15)4-3-5-14/h6-8H,3-5,9,15H2,1-2H3,(H,16,17)
InChIKeyVWZCJIVREWCDPG-UHFFFAOYSA-N
XLogP1.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)oxane-4-carboxamide
CID 82868058
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide (CID 80588722) is 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide is COc1cc(NC(=O)C2(CN)CCC2)cc(OC)c1.
What is the InChIKey of 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is VWZCJIVREWCDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)16-13(17)14(9-15)4-3-5-14/h6-8H,3-5,9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80588722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).