N,4-diethylazepane-1-carboxamide

C11H22N2O — CID 89043568

IUPACN,4-diethylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCC(CC)CC1
InChIInChI=1S/C11H22N2O/c1-3-10-6-5-8-13(9-7-10)11(14)12-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyRBUZMIUAMTWUCW-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds2

About N,4-diethylazepane-1-carboxamide

N,4-diethylazepane-1-carboxamide (PubChem CID 89043568) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,4-diethylazepane-1-carboxamide.

Molecular Properties

Compound NameN,4-diethylazepane-1-carboxamide
PubChem CID89043568
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,4-diethylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCC(CC)CC1
InChIInChI=1S/C11H22N2O/c1-3-10-6-5-8-13(9-7-10)11(14)12-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyRBUZMIUAMTWUCW-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
CID 143486954
(2R)-2-[(4-ethylazepane-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104910357
3-(aminomethyl)-N-ethylazepane-1-carboxamide
CID 126983283
2-[(4-ethylazepane-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789315
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
3-(4-ethylazepan-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821966
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
CID 166107612
4-(hydroxymethyl)-N-methylazepane-1-carboxamide
CID 130892258

Frequently Asked Questions

What is the IUPAC name of N,4-diethylazepane-1-carboxamide?
The IUPAC name of N,4-diethylazepane-1-carboxamide (CID 89043568) is N,4-diethylazepane-1-carboxamide.
What is the SMILES notation for N,4-diethylazepane-1-carboxamide?
The canonical SMILES for N,4-diethylazepane-1-carboxamide is CCNC(=O)N1CCCC(CC)CC1.
What is the InChIKey of N,4-diethylazepane-1-carboxamide?
The InChIKey is RBUZMIUAMTWUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-10-6-5-8-13(9-7-10)11(14)12-4-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N,4-diethylazepane-1-carboxamide?
N,4-diethylazepane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethylazepane-1-carboxamide is sourced from PubChem (CID 89043568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).