2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide

C15H22N2O — CID 79851579

IUPAC2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CC1(N)CCC1
InChIInChI=1S/C15H22N2O/c1-2-17(12-13-7-4-3-5-8-13)14(18)11-15(16)9-6-10-15/h3-5,7-8H,2,6,9-12,16H2,1H3
InChIKeyNOLFBTRXQFGERG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.31
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide

2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide (PubChem CID 79851579) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
PubChem CID79851579
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CC1(N)CCC1
InChIInChI=1S/C15H22N2O/c1-2-17(12-13-7-4-3-5-8-13)14(18)11-15(16)9-6-10-15/h3-5,7-8H,2,6,9-12,16H2,1H3
InChIKeyNOLFBTRXQFGERG-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750868
2-(1-aminocyclopentyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 64685075
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide (CID 79851579) is 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide?
The InChIKey is NOLFBTRXQFGERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17(12-13-7-4-3-5-8-13)14(18)11-15(16)9-6-10-15/h3-5,7-8H,2,6,9-12,16H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide?
2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide is sourced from PubChem (CID 79851579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).