N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide

C15H27N3O2 — CID 174817530

IUPACN-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(N(C)C)N1CCCCCC1=O
InChIInChI=1S/C15H27N3O2/c1-12(2)15(20)16-10-9-13(17(3)4)18-11-7-5-6-8-14(18)19/h13H,1,5-11H2,2-4H3,(H,16,20)
InChIKeyHEFRZVXQRVGAHU-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.36
Rot. Bonds6

About N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide

N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide (PubChem CID 174817530) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide
PubChem CID174817530
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(N(C)C)N1CCCCCC1=O
InChIInChI=1S/C15H27N3O2/c1-12(2)15(20)16-10-9-13(17(3)4)18-11-7-5-6-8-14(18)19/h13H,1,5-11H2,2-4H3,(H,16,20)
InChIKeyHEFRZVXQRVGAHU-UHFFFAOYSA-N
XLogP1.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide 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-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
CID 174556162
N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide
CID 58875518
N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
CID 134507504
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide
CID 19767348
1-propan-2-ylazonan-2-one
CID 101216305
1-(2-oxoazepan-1-yl)ethyl 2-methylidenebutanoate
CID 134203916
acetic acid;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide
CID 145314575
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425497
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide (CID 174817530) is N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(N(C)C)N1CCCCCC1=O.
What is the InChIKey of N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide?
The InChIKey is HEFRZVXQRVGAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)15(20)16-10-9-13(17(3)4)18-11-7-5-6-8-14(18)19/h13H,1,5-11H2,2-4H3,(H,16,20).
What are the key properties of N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide?
N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide has a molecular weight of 281.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 174817530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).