1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide

C14H20N2O — CID 80586699

IUPAC1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(12-6-3-2-4-7-12)16-13(17)14(10-15)8-5-9-14/h2-4,6-7,11H,5,8-10,15H2,1H3,(H,16,17)
InChIKeyRWEOLPWYJFMHRS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.99
Rot. Bonds4

About 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide (PubChem CID 80586699) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
PubChem CID80586699
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(12-6-3-2-4-7-12)16-13(17)14(10-15)8-5-9-14/h2-4,6-7,11H,5,8-10,15H2,1H3,(H,16,17)
InChIKeyRWEOLPWYJFMHRS-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447604
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide (CID 80586699) is 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide is CC(NC(=O)C1(CN)CCC1)c1ccccc1.
What is the InChIKey of 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide?
The InChIKey is RWEOLPWYJFMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(12-6-3-2-4-7-12)16-13(17)14(10-15)8-5-9-14/h2-4,6-7,11H,5,8-10,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80586699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).