N-(2-methylbutan-2-yl)azepane-1-carboxamide

C12H24N2O — CID 116653730

IUPACN-(2-methylbutan-2-yl)azepane-1-carboxamide
SMILESCCC(C)(C)NC(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-4-12(2,3)13-11(15)14-9-7-5-6-8-10-14/h4-10H2,1-3H3,(H,13,15)
InChIKeyAIDIHNPFEMVSGZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.76
Rot. Bonds2

About N-(2-methylbutan-2-yl)azepane-1-carboxamide

N-(2-methylbutan-2-yl)azepane-1-carboxamide (PubChem CID 116653730) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)azepane-1-carboxamide
PubChem CID116653730
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(2-methylbutan-2-yl)azepane-1-carboxamide
SMILESCCC(C)(C)NC(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-4-12(2,3)13-11(15)14-9-7-5-6-8-10-14/h4-10H2,1-3H3,(H,13,15)
InChIKeyAIDIHNPFEMVSGZ-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate
CID 70950413
3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
CID 106096157
4-ethyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 55177965
N-(2-methylbutan-2-yl)-4,8-diazaspiro[2.6]nonane-8-carboxamide
CID 165478698
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide
CID 79155210
N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrolidine-1-carboxamide
CID 104594555
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]azepane-1-carboxamide
CID 79152660
N-(2-methylbutan-2-yl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 24842768

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)azepane-1-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)azepane-1-carboxamide (CID 116653730) is N-(2-methylbutan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)azepane-1-carboxamide is CCC(C)(C)NC(=O)N1CCCCCC1.
What is the InChIKey of N-(2-methylbutan-2-yl)azepane-1-carboxamide?
The InChIKey is AIDIHNPFEMVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(2,3)13-11(15)14-9-7-5-6-8-10-14/h4-10H2,1-3H3,(H,13,15).
What are the key properties of N-(2-methylbutan-2-yl)azepane-1-carboxamide?
N-(2-methylbutan-2-yl)azepane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 116653730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).