N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide

C23H35N3O — CID 72547214

IUPACN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C23H35N3O/c1-17-15-20(25-14-12-21(16-25)26-13-6-7-18(26)2)10-11-22(17)24-23(27)19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H,24,27)
InChIKeyKARKKBOPJCCXQK-UHFFFAOYSA-N
MW369.55 g/mol
LogP4.58
Rot. Bonds4

About N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide

N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide (PubChem CID 72547214) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide
PubChem CID72547214
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C23H35N3O/c1-17-15-20(25-14-12-21(16-25)26-13-6-7-18(26)2)10-11-22(17)24-23(27)19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H,24,27)
InChIKeyKARKKBOPJCCXQK-UHFFFAOYSA-N
XLogP4.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]cyclopentanecarboxamide
CID 25264794
[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamic acid
CID 67403733
2-cyclopentyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]acetamide
CID 25265380
2,2,3,3-tetramethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 66625137
4-chloro-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401881
4-(hydroxymethyl)-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 71624404
(4-ethylpiperazin-1-yl) N-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]carbamate
CID 67136314
(5-methyl-1H-pyrazol-3-yl) N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]carbamate
CID 67405091
2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]aniline
CID 59401888
N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157117521
5-methyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 66625083
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 25264119

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide (CID 72547214) is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide is Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is KARKKBOPJCCXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-17-15-20(25-14-12-21(16-25)26-13-6-7-18(26)2)10-11-22(17)24-23(27)19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide?
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 369.55 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 72547214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).