3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride

C23H30ClN3O2 — CID 119440451

IUPAC3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C23H29N3O2.ClH/c1-2-24-16-19-11-6-7-14-21(19)26-23(28)18-12-8-13-20(15-18)25-22(27)17-9-4-3-5-10-17;/h6-8,11-15,17,24H,2-5,9-10,16H2,1H3,(H,25,27)(H,26,28);1H
InChIKeyJYSNLZDFAAJQRO-UHFFFAOYSA-N
MW415.97 g/mol
LogP4.99
Rot. Bonds7

About 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride

3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride (PubChem CID 119440451) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
PubChem CID119440451
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C23H29N3O2.ClH/c1-2-24-16-19-11-6-7-14-21(19)26-23(28)18-12-8-13-20(15-18)25-22(27)17-9-4-3-5-10-17;/h6-8,11-15,17,24H,2-5,9-10,16H2,1H3,(H,25,27)(H,26,28);1H
InChIKeyJYSNLZDFAAJQRO-UHFFFAOYSA-N
XLogP4.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
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3-(dimethylcarbamoylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119440210
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
CID 39927304
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride (CID 119440451) is 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
The InChIKey is JYSNLZDFAAJQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c1-2-24-16-19-11-6-7-14-21(19)26-23(28)18-12-8-13-20(15-18)25-22(27)17-9-4-3-5-10-17;/h6-8,11-15,17,24H,2-5,9-10,16H2,1H3,(H,25,27)(H,26,28);1H.
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride?
3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119440451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).