cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium

C24H32N3O3+ — CID 9265622

IUPACcyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-30-20-15-13-19(14-16-20)26-24(29)21-11-7-8-12-22(21)27-23(28)17-25-18-9-5-3-2-4-6-10-18/h7-8,11-16,18,25H,2-6,9-10,17H2,1H3,(H,26,29)(H,27,28)/p+1
InChIKeyNCVNCDQOVJMQDZ-UHFFFAOYSA-O
MW410.54 g/mol
LogP3.56
Rot. Bonds7

About cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium

cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium (PubChem CID 9265622) has the molecular formula C24H32N3O3+ and a molecular weight of 410.54 g/mol. Its IUPAC name is cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
PubChem CID9265622
Molecular FormulaC24H32N3O3+
Molecular Weight410.54 g/mol
Exact Mass410.24
IUPAC Namecyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C24H31N3O3/c1-30-20-15-13-19(14-16-20)26-24(29)21-11-7-8-12-22(21)27-23(28)17-25-18-9-5-3-2-4-6-10-18/h7-8,11-16,18,25H,2-6,9-10,17H2,1H3,(H,26,29)(H,27,28)/p+1
InChIKeyNCVNCDQOVJMQDZ-UHFFFAOYSA-O
XLogP3.56
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium 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

[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 8000807
cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982067
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
2-[(4-amino-3-methoxybutanoyl)amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120586728
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222721
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119265973
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
cyclopropyl-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 7297720

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The IUPAC name of cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium (CID 9265622) is cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The canonical SMILES for cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium is COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C2CCCCCCC2)cc1.
What is the InChIKey of cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The InChIKey is NCVNCDQOVJMQDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H31N3O3/c1-30-20-15-13-19(14-16-20)26-24(29)21-11-7-8-12-22(21)27-23(28)17-25-18-9-5-3-2-4-6-10-18/h7-8,11-16,18,25H,2-6,9-10,17H2,1H3,(H,26,29)(H,27,28)/p+1.
What are the key properties of cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium has a molecular weight of 410.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 9265622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).