N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C19H26N2O3 — CID 109145697

IUPACN-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-17-10-8-16(9-11-17)20-18(22)14-4-6-15(7-5-14)19(23)21-12-2-3-13-21/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,22)
InChIKeyFCYMKFWVWXNHFE-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.06
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109145697) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109145697
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-24-17-10-8-16(9-11-17)20-18(22)14-4-6-15(7-5-14)19(23)21-12-2-3-13-21/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,22)
InChIKeyFCYMKFWVWXNHFE-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109146046
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
1-(cyclopropanecarbonyl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 47044071
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109145697) is N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is FCYMKFWVWXNHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-17-10-8-16(9-11-17)20-18(22)14-4-6-15(7-5-14)19(23)21-12-2-3-13-21/h8-11,14-15H,2-7,12-13H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).