4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C23H34FNO2 — CID 19120200

IUPAC4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(Cc2ccccc2F)CC2CCCO2)CC1
InChIInChI=1S/C23H34FNO2/c1-2-3-7-18-11-13-19(14-12-18)23(26)25(17-21-9-6-15-27-21)16-20-8-4-5-10-22(20)24/h4-5,8,10,18-19,21H,2-3,6-7,9,11-17H2,1H3
InChIKeyVLZMUOTYNBACAY-UHFFFAOYSA-N
MW375.53 g/mol
LogP5.33
Rot. Bonds8

About 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 19120200) has the molecular formula C23H34FNO2 and a molecular weight of 375.53 g/mol. Its IUPAC name is 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID19120200
Molecular FormulaC23H34FNO2
Molecular Weight375.53 g/mol
Exact Mass375.26
IUPAC Name4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(Cc2ccccc2F)CC2CCCO2)CC1
InChIInChI=1S/C23H34FNO2/c1-2-3-7-18-11-13-19(14-12-18)23(26)25(17-21-9-6-15-27-21)16-20-8-4-5-10-22(20)24/h4-5,8,10,18-19,21H,2-3,6-7,9,11-17H2,1H3
InChIKeyVLZMUOTYNBACAY-UHFFFAOYSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide 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

2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
2-bromo-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120010
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120014
(E)-3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 19120021
2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120019
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119316064
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 72880001
N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3221325

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 19120200) is 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(Cc2ccccc2F)CC2CCCO2)CC1.
What is the InChIKey of 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is VLZMUOTYNBACAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FNO2/c1-2-3-7-18-11-13-19(14-12-18)23(26)25(17-21-9-6-15-27-21)16-20-8-4-5-10-22(20)24/h4-5,8,10,18-19,21H,2-3,6-7,9,11-17H2,1H3.
What are the key properties of 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 375.53 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 19120200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).