N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride

C20H30ClN3O2 — CID 119651472

IUPACN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-21-14-18-11-6-12-23(18)20(25)16-9-5-10-17(13-16)22-19(24)15-7-3-2-4-8-15;/h5,9-10,13,15,18,21H,2-4,6-8,11-12,14H2,1H3,(H,22,24);1H
InChIKeyWZGBKQYEUJKXLY-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.45
Rot. Bonds5

About N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride

N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119651472) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID119651472
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-21-14-18-11-6-12-23(18)20(25)16-9-5-10-17(13-16)22-19(24)15-7-3-2-4-8-15;/h5,9-10,13,15,18,21H,2-4,6-8,11-12,14H2,1H3,(H,22,24);1H
InChIKeyWZGBKQYEUJKXLY-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119651940
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119541694
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119651912
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 81484224
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
N-[3-(2,3-dimethylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120570628
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 119649020

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride (CID 119651472) is N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride is CNCC1CCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1.Cl.
What is the InChIKey of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is WZGBKQYEUJKXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-21-14-18-11-6-12-23(18)20(25)16-9-5-10-17(13-16)22-19(24)15-7-3-2-4-8-15;/h5,9-10,13,15,18,21H,2-4,6-8,11-12,14H2,1H3,(H,22,24);1H.
What are the key properties of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119651472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).