N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride

C20H30ClN3O3 — CID 119791373

IUPACN-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC2CCCN2)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-18-10-9-16(22-19(24)13-15-8-5-11-21-15)12-17(18)23-20(25)14-6-3-2-4-7-14;/h9-10,12,14-15,21H,2-8,11,13H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyQXWBDXGVTANDSM-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.72
Rot. Bonds6

About N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride

N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119791373) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID119791373
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC2CCCN2)cc1NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-18-10-9-16(22-19(24)13-15-8-5-11-21-15)12-17(18)23-20(25)14-6-3-2-4-7-14;/h9-10,12,14-15,21H,2-8,11,13H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyQXWBDXGVTANDSM-UHFFFAOYSA-N
XLogP3.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43151267
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CID 119713243
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119741845
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 120501094
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-methyl-3-oxopropanoic acid
CID 138001716

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride (CID 119791373) is N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride is COc1ccc(NC(=O)CC2CCCN2)cc1NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is QXWBDXGVTANDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-26-18-10-9-16(22-19(24)13-15-8-5-11-21-15)12-17(18)23-20(25)14-6-3-2-4-7-14;/h9-10,12,14-15,21H,2-8,11,13H2,1H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride?
N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119791373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).