1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide

C16H24N2O2 — CID 80587158

IUPAC1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-12(2)20-14-7-4-6-13(10-14)18-15(19)16(11-17)8-5-9-16/h4,6-7,10,12H,3,5,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeySMKKXYGSYSKMTC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds6

About 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide (PubChem CID 80587158) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
PubChem CID80587158
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-12(2)20-14-7-4-6-13(10-14)18-15(19)16(11-17)8-5-9-16/h4,6-7,10,12H,3,5,8-9,11,17H2,1-2H3,(H,18,19)
InChIKeySMKKXYGSYSKMTC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
CID 115294807
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 97316852
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
CID 80588714
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide (CID 80587158) is 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide is CCC(C)Oc1cccc(NC(=O)C2(CN)CCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is SMKKXYGSYSKMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12(2)20-14-7-4-6-13(10-14)18-15(19)16(11-17)8-5-9-16/h4,6-7,10,12H,3,5,8-9,11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 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-butan-2-yloxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80587158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).