N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide

C17H27N3O — CID 65073911

IUPACN-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
SMILESCCN1CCCC(NCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-20-11-6-9-16(10-12-20)18-14-17(21)19-13-15-7-4-3-5-8-15/h3-5,7-8,16,18H,2,6,9-14H2,1H3,(H,19,21)
InChIKeyNXZPFXFGAYBYPK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.77
Rot. Bonds6

About N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide

N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide (PubChem CID 65073911) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
PubChem CID65073911
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
SMILESCCN1CCCC(NCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-20-11-6-9-16(10-12-20)18-14-17(21)19-13-15-7-4-3-5-8-15/h3-5,7-8,16,18H,2,6,9-14H2,1H3,(H,19,21)
InChIKeyNXZPFXFGAYBYPK-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide
CID 60972447
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 113293184
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
2-[(1-ethylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43400021
1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea
CID 9095149
2-(cyclohexylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 108993564
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
N-benzyl-2-[(2,6-dimethylcyclohexyl)amino]acetamide
CID 60972200

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide (CID 65073911) is N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide is CCN1CCCC(NCC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
The InChIKey is NXZPFXFGAYBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-20-11-6-9-16(10-12-20)18-14-17(21)19-13-15-7-4-3-5-8-15/h3-5,7-8,16,18H,2,6,9-14H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide?
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide is sourced from PubChem (CID 65073911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).