N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide

C12H22N2O2 — CID 107404109

IUPACN-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-12(16)6-3-8-14(9-7-12)11(15)13-10-4-2-5-10/h10,16H,2-9H2,1H3,(H,13,15)
InChIKeyHEXXQFSVSAZEBO-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.49
Rot. Bonds1

About N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide

N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide (PubChem CID 107404109) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
PubChem CID107404109
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-12(16)6-3-8-14(9-7-12)11(15)13-10-4-2-5-10/h10,16H,2-9H2,1H3,(H,13,15)
InChIKeyHEXXQFSVSAZEBO-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
N-cyclobutyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872270
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
(4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72870335
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
CID 107162744
2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
CID 107405749
N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107405688
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765389

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide?
The IUPAC name of N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide (CID 107404109) is N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide is CC1(O)CCCN(C(=O)NC2CCC2)CC1.
What is the InChIKey of N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide?
The InChIKey is HEXXQFSVSAZEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(16)6-3-8-14(9-7-12)11(15)13-10-4-2-5-10/h10,16H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide?
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide is sourced from PubChem (CID 107404109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).