2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

C17H27N3O — CID 62839015

IUPAC2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN2CCCNCC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-13-5-6-16(14(2)11-13)15(3)19-17(21)12-20-9-4-7-18-8-10-20/h5-6,11,15,18H,4,7-10,12H2,1-3H3,(H,19,21)
InChIKeyLMPPZUVFWFBVKL-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.78
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide

2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 62839015) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID62839015
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN2CCCNCC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-13-5-6-16(14(2)11-13)15(3)19-17(21)12-20-9-4-7-18-8-10-20/h5-6,11,15,18H,4,7-10,12H2,1-3H3,(H,19,21)
InChIKeyLMPPZUVFWFBVKL-UHFFFAOYSA-N
XLogP1.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60851256
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
(2S)-2-(2,4-dimethylphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetic acid
CID 97192195
N-(2-bromo-5-methylphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 82756955
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404554
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide (CID 62839015) is 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CN2CCCNCC2)c(C)c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is LMPPZUVFWFBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-5-6-16(14(2)11-13)15(3)19-17(21)12-20-9-4-7-18-8-10-20/h5-6,11,15,18H,4,7-10,12H2,1-3H3,(H,19,21).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 62839015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).