4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

C20H29N3O3 — CID 122025212

IUPAC4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H29N3O3/c1-22(20(26)21-17-10-8-15(9-11-17)19(24)25)14-16-6-2-3-7-18(16)23-12-4-5-13-23/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyFQAYSDQCCXHZDK-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.07
Rot. Bonds5

About 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025212) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025212
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C20H29N3O3/c1-22(20(26)21-17-10-8-15(9-11-17)19(24)25)14-16-6-2-3-7-18(16)23-12-4-5-13-23/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,21,26)(H,24,25)
InChIKeyFQAYSDQCCXHZDK-UHFFFAOYSA-N
XLogP3.07
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-(1-cyclopropylpiperidin-4-yl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 87003169
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
1-methyl-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(2-piperidin-1-ylphenyl)methyl]urea
CID 166243112
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 136515618
N-cyclopropyl-2-[methyl-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetyl]amino]acetamide
CID 17491782
4-[[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025091
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779
4-[[methyl(2-naphthalen-1-ylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024923
4-N-methyl-1-N-phenyl-4-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 9361588
(3S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685812
1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
CID 87003177
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 55696576

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122025212) is 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is CN(Cc1ccccc1N1CCCC1)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FQAYSDQCCXHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-22(20(26)21-17-10-8-15(9-11-17)19(24)25)14-16-6-2-3-7-18(16)23-12-4-5-13-23/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).