4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 122025051

IUPAC4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1CN(C(=O)NC1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C19H26N2O4/c1-25-17-5-3-2-4-14(17)12-21(16-10-11-16)19(24)20-15-8-6-13(7-9-15)18(22)23/h2-5,13,15-16H,6-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMLGHGWSWDVRWDT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.01
Rot. Bonds6

About 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025051) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025051
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1CN(C(=O)NC1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C19H26N2O4/c1-25-17-5-3-2-4-14(17)12-21(16-10-11-16)19(24)20-15-8-6-13(7-9-15)18(22)23/h2-5,13,15-16H,6-12H2,1H3,(H,20,24)(H,22,23)
InChIKeyMLGHGWSWDVRWDT-UHFFFAOYSA-N
XLogP3.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025022
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
4-[[(5-bromo-2-methoxyphenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024270
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 79272398
3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
CID 4276870
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119715404

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122025051) is 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is COc1ccccc1CN(C(=O)NC1CCC(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MLGHGWSWDVRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-25-17-5-3-2-4-14(17)12-21(16-10-11-16)19(24)20-15-8-6-13(7-9-15)18(22)23/h2-5,13,15-16H,6-12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).