4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride

C16H24ClN3O2 — CID 119283610

IUPAC4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1ccc(CNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-18-14(20)13-7-5-12(6-8-13)11-19-15(21)16(17)9-3-2-4-10-16;/h5-8H,2-4,9-11,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyPGXNUQUQVUQVHF-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.75
Rot. Bonds4

About 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride

4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride (PubChem CID 119283610) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
PubChem CID119283610
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1ccc(CNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-18-14(20)13-7-5-12(6-8-13)11-19-15(21)16(17)9-3-2-4-10-16;/h5-8H,2-4,9-11,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyPGXNUQUQVUQVHF-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride 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

4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
CID 119295324
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119881589
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride (CID 119283610) is 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride is CNC(=O)c1ccc(CNC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
The InChIKey is PGXNUQUQVUQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-18-14(20)13-7-5-12(6-8-13)11-19-15(21)16(17)9-3-2-4-10-16;/h5-8H,2-4,9-11,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride?
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119283610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).