4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C18H31NO4 — CID 120674585

IUPAC4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)C1CC(NC(=O)C2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C18H31NO4/c1-3-12(4-2)16-11-15(9-10-23-16)19-17(20)13-5-7-14(8-6-13)18(21)22/h12-16H,3-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRDYADXOKUNASCT-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.98
Rot. Bonds6

About 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674585) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674585
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)C1CC(NC(=O)C2CCC(C(=O)O)CC2)CCO1
InChIInChI=1S/C18H31NO4/c1-3-12(4-2)16-11-15(9-10-23-16)19-17(20)13-5-7-14(8-6-13)18(21)22/h12-16H,3-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRDYADXOKUNASCT-UHFFFAOYSA-N
XLogP2.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-[(2-pentan-3-yloxan-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123402
N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167891122
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
2-[ethyl-[3-[(2-pentan-3-yloxan-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122009364
4-[[(2-pentan-3-yloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122009360
1-(2,5-difluorophenyl)-3-[(2S,4S)-2-pentan-3-yloxan-4-yl]urea
CID 97260483
(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide
CID 124615845
1-(2,5-difluorophenyl)-3-[(2S,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260481
1-(2,5-difluorophenyl)-3-[(2R,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260482
2-[[ethylamino-[(2-pentan-3-yloxan-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049869
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120674585) is 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CCC(CC)C1CC(NC(=O)C2CCC(C(=O)O)CC2)CCO1.
What is the InChIKey of 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RDYADXOKUNASCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-3-12(4-2)16-11-15(9-10-23-16)19-17(20)13-5-7-14(8-6-13)18(21)22/h12-16H,3-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 325.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pentan-3-yloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).