3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide

C19H29N3O4 — CID 119589329

IUPAC3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)cc(NC(C)=O)c1OC
InChIInChI=1S/C19H29N3O4/c1-12(23)21-15-9-14(10-17(25-2)18(15)26-3)19(24)22-16(11-20)13-7-5-4-6-8-13/h9-10,13,16H,4-8,11,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUTDVULKFKSRMQN-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.30
Rot. Bonds7

About 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide

3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide (PubChem CID 119589329) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
PubChem CID119589329
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)cc(NC(C)=O)c1OC
InChIInChI=1S/C19H29N3O4/c1-12(23)21-15-9-14(10-17(25-2)18(15)26-3)19(24)22-16(11-20)13-7-5-4-6-8-13/h9-10,13,16H,4-8,11,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUTDVULKFKSRMQN-UHFFFAOYSA-N
XLogP2.30
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide 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

3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
N-(2-amino-1-cyclohexylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119591423
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119616315
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832
2-[(3-acetamido-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 119348890
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119614778
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide?
The IUPAC name of 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide (CID 119589329) is 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide is COc1cc(C(=O)NC(CN)C2CCCCC2)cc(NC(C)=O)c1OC.
What is the InChIKey of 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide?
The InChIKey is UTDVULKFKSRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-12(23)21-15-9-14(10-17(25-2)18(15)26-3)19(24)22-16(11-20)13-7-5-4-6-8-13/h9-10,13,16H,4-8,11,20H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide?
3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide has a molecular weight of 363.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 119589329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).