1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide

C16H21F3N2O2 — CID 119329926

IUPAC1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(N)CCCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-11-9-12(5-6-13(11)23-10-16(17,18)19)21-14(22)15(20)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,20H2,1H3,(H,21,22)
InChIKeyBGOLORRPVYVBBD-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.54
Rot. Bonds4

About 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide

1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 119329926) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID119329926
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(N)CCCCC2)ccc1OCC(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-11-9-12(5-6-13(11)23-10-16(17,18)19)21-14(22)15(20)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,20H2,1H3,(H,21,22)
InChIKeyBGOLORRPVYVBBD-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 111539254
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021
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CID 81168565
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1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide (CID 119329926) is 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2(N)CCCCC2)ccc1OCC(F)(F)F.
What is the InChIKey of 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is BGOLORRPVYVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-11-9-12(5-6-13(11)23-10-16(17,18)19)21-14(22)15(20)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,20H2,1H3,(H,21,22).
What are the key properties of 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119329926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).