2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid

C15H18N2O4 — CID 60948397

IUPAC2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CC2C(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)10-5-3-9(4-6-10)8-17(2)14(19)11-7-12(11)15(20)21/h3-6,11-12H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyPBPIREDYNJXSLI-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.73
Rot. Bonds5

About 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60948397) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60948397
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2CC2C(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)10-5-3-9(4-6-10)8-17(2)14(19)11-7-12(11)15(20)21/h3-6,11-12H,7-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyPBPIREDYNJXSLI-UHFFFAOYSA-N
XLogP0.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 8966947
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 38747131
(3R,4S)-1-benzyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 124858333
(2S)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,1-dioxothiane-2-carboxamide
CID 97352022
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 60944866
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
2-[furan-3-ylmethyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390811

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60948397) is 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid is CNC(=O)c1ccc(CN(C)C(=O)C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PBPIREDYNJXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-13(18)10-5-3-9(4-6-10)8-17(2)14(19)11-7-12(11)15(20)21/h3-6,11-12H,7-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60948397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).