N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride

C16H24ClN3O2 — CID 119432738

IUPACN-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cccc(NC(=O)C2CC2C)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-9-14(11)16(21)19-13-6-3-5-12(10-13)15(20)18-8-4-7-17-2;/h3,5-6,10-11,14,17H,4,7-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyDFHLRYKKXWLPJM-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.04
Rot. Bonds7

About N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride

N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride (PubChem CID 119432738) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
PubChem CID119432738
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cccc(NC(=O)C2CC2C)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-9-14(11)16(21)19-13-6-3-5-12(10-13)15(20)18-8-4-7-17-2;/h3,5-6,10-11,14,17H,4,7-9H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyDFHLRYKKXWLPJM-UHFFFAOYSA-N
XLogP2.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650261
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 55863094
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55650589
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride (CID 119432738) is N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride is CNCCCNC(=O)c1cccc(NC(=O)C2CC2C)c1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The InChIKey is DFHLRYKKXWLPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11-9-14(11)16(21)19-13-6-3-5-12(10-13)15(20)18-8-4-7-17-2;/h3,5-6,10-11,14,17H,4,7-9H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119432738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).