4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C20H28N2O4 — CID 122024406

IUPAC4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(CCc2ccccc2)C2CCOC2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(24)16-6-8-17(9-7-16)21-20(25)22(18-11-13-26-14-18)12-10-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)(H,23,24)
InChIKeyQFWYUYDLXXZTKI-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.67
Rot. Bonds6

About 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024406) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024406
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N(CCc2ccccc2)C2CCOC2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(24)16-6-8-17(9-7-16)21-20(25)22(18-11-13-26-14-18)12-10-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)(H,23,24)
InChIKeyQFWYUYDLXXZTKI-UHFFFAOYSA-N
XLogP2.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 97015367
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382
3-amino-N-(oxolan-3-yl)-N-(2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119820576
4-[[benzyl(oxan-4-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023573
3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
CID 120611849
4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524552
4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025022
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
CID 71923006
N-ethyl-2-[oxolan-3-yl(2-phenylethyl)amino]acetamide
CID 71859131
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide
CID 95975009
4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024428

Frequently Asked Questions

What is the IUPAC name of 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122024406) is 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N(CCc2ccccc2)C2CCOC2)CC1.
What is the InChIKey of 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QFWYUYDLXXZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(24)16-6-8-17(9-7-16)21-20(25)22(18-11-13-26-14-18)12-10-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)(H,23,24).
What are the key properties of 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).