1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide

C16H24N2O2 — CID 115447865

IUPAC1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
SMILESCC(C)COc1cccc(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-20-14-6-3-5-13(9-14)18-15(19)16(11-17)7-4-8-16/h3,5-6,9,12H,4,7-8,10-11,17H2,1-2H3,(H,18,19)
InChIKeyCFRNGEGSXQDCEY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds6

About 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide (PubChem CID 115447865) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
PubChem CID115447865
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
SMILESCC(C)COc1cccc(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)10-20-14-6-3-5-13(9-14)18-15(19)16(11-17)7-4-8-16/h3,5-6,9,12H,4,7-8,10-11,17H2,1-2H3,(H,18,19)
InChIKeyCFRNGEGSXQDCEY-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
3-methyl-N-[3-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63139773
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
CID 80588714
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106825950
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide (CID 115447865) is 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide is CC(C)COc1cccc(NC(=O)C2(CN)CCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide?
The InChIKey is CFRNGEGSXQDCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)10-20-14-6-3-5-13(9-14)18-15(19)16(11-17)7-4-8-16/h3,5-6,9,12H,4,7-8,10-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115447865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).