N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide

C14H27N3O — CID 107398558

IUPACN-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
SMILESCCN(CC1CCC1)C(=O)CN1CCCNCC1
InChIInChI=1S/C14H27N3O/c1-2-17(11-13-5-3-6-13)14(18)12-16-9-4-7-15-8-10-16/h13,15H,2-12H2,1H3
InChIKeyGKYUVGIXULENEB-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds5

About N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide

N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide (PubChem CID 107398558) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
PubChem CID107398558
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
SMILESCCN(CC1CCC1)C(=O)CN1CCCNCC1
InChIInChI=1S/C14H27N3O/c1-2-17(11-13-5-3-6-13)14(18)12-16-9-4-7-15-8-10-16/h13,15H,2-12H2,1H3
InChIKeyGKYUVGIXULENEB-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
3-cyclohexyl-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 79720313
2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62838345
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715
2-(1,4-diazepan-1-yl)-N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 62837819
2-(1,4-diazepan-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63166632

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide (CID 107398558) is N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide is CCN(CC1CCC1)C(=O)CN1CCCNCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
The InChIKey is GKYUVGIXULENEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-17(11-13-5-3-6-13)14(18)12-16-9-4-7-15-8-10-16/h13,15H,2-12H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide?
N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide is sourced from PubChem (CID 107398558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).