1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone

C21H31N3O2 — CID 71934936

IUPAC1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
SMILESCc1cc(C(=O)N2CCCC2)ccc1NCC(=O)N1CCCCCCC1
InChIInChI=1S/C21H31N3O2/c1-17-15-18(21(26)24-13-7-8-14-24)9-10-19(17)22-16-20(25)23-11-5-3-2-4-6-12-23/h9-10,15,22H,2-8,11-14,16H2,1H3
InChIKeyWNAJOXFBTULYJQ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.44
Rot. Bonds4

About 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone

1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone (PubChem CID 71934936) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
PubChem CID71934936
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
SMILESCc1cc(C(=O)N2CCCC2)ccc1NCC(=O)N1CCCCCCC1
InChIInChI=1S/C21H31N3O2/c1-17-15-18(21(26)24-13-7-8-14-24)9-10-19(17)22-16-20(25)23-11-5-3-2-4-6-12-23/h9-10,15,22H,2-8,11-14,16H2,1H3
InChIKeyWNAJOXFBTULYJQ-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone 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

azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
[4-(5-hydroxypentylamino)-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 111770378
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
azepan-1-yl-[4-[(Z)-but-2-en-2-yl]-3-methylphenyl]methanone
CID 144998488
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone (CID 71934936) is 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone is Cc1cc(C(=O)N2CCCC2)ccc1NCC(=O)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone?
The InChIKey is WNAJOXFBTULYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-17-15-18(21(26)24-13-7-8-14-24)9-10-19(17)22-16-20(25)23-11-5-3-2-4-6-12-23/h9-10,15,22H,2-8,11-14,16H2,1H3.
What are the key properties of 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone?
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone has a molecular weight of 357.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone is sourced from PubChem (CID 71934936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).