N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide

C13H25N3O — CID 114086580

IUPACN-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCC1CN(C)CCCN1C(=O)NC1CCC1
InChIInChI=1S/C13H25N3O/c1-3-12-10-15(2)8-5-9-16(12)13(17)14-11-6-4-7-11/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyVZTLLDRZTORTOV-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.66
Rot. Bonds2

About N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide

N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 114086580) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID114086580
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide
SMILESCCC1CN(C)CCCN1C(=O)NC1CCC1
InChIInChI=1S/C13H25N3O/c1-3-12-10-15(2)8-5-9-16(12)13(17)14-11-6-4-7-11/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyVZTLLDRZTORTOV-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61370399
2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide
CID 167769557
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 61465499
2-(aminomethyl)-N-cyclohexyl-4-ethylpiperidine-1-carboxamide
CID 103352591
N-cyclobutyl-2-methylpyrrolidine-1-carboxamide
CID 115664840
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide (CID 114086580) is N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide is CCC1CN(C)CCCN1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is VZTLLDRZTORTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-12-10-15(2)8-5-9-16(12)13(17)14-11-6-4-7-11/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide?
N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-ethyl-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 114086580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).