4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

C18H24F3N3O3 — CID 167837881

IUPAC4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H24F3N3O3/c1-22-16(25)11-3-6-13(7-4-11)24-17(26)23-10-12-5-8-14(27-2)9-15(12)18(19,20)21/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyKXTFWOWAIRRHPU-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.82
Rot. Bonds5

About 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (PubChem CID 167837881) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
PubChem CID167837881
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H24F3N3O3/c1-22-16(25)11-3-6-13(7-4-11)24-17(26)23-10-12-5-8-14(27-2)9-15(12)18(19,20)21/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyKXTFWOWAIRRHPU-UHFFFAOYSA-N
XLogP2.82
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]urea
CID 97321321
1-butanoyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 137362374
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119767143
tert-butyl 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoylamino]piperidine-1-carboxylate
CID 78889548
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
4-[(2-ethoxyphenyl)methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 167769772
N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide
CID 138562720
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (CID 167837881) is 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(NC(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is KXTFWOWAIRRHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-22-16(25)11-3-6-13(7-4-11)24-17(26)23-10-12-5-8-14(27-2)9-15(12)18(19,20)21/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 167837881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).