(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide

C15H22F6N2O3 — CID 118349038

IUPAC(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCC1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C15H22F6N2O3/c1-8(24)23-12(7-26-2)13(25)22-6-9-3-10(14(16,17)18)5-11(4-9)15(19,20)21/h9-12H,3-7H2,1-2H3,(H,22,25)(H,23,24)/t9?,10?,11?,12-/m1/s1
InChIKeyRJAOBCRTELGHDC-XHUCQOSOSA-N
MW392.34 g/mol
LogP2.41
Rot. Bonds6

About (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide

(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide (PubChem CID 118349038) has the molecular formula C15H22F6N2O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide
PubChem CID118349038
Molecular FormulaC15H22F6N2O3
Molecular Weight392.34 g/mol
Exact Mass392.15
IUPAC Name(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCC1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C15H22F6N2O3/c1-8(24)23-12(7-26-2)13(25)22-6-9-3-10(14(16,17)18)5-11(4-9)15(19,20)21/h9-12H,3-7H2,1-2H3,(H,22,25)(H,23,24)/t9?,10?,11?,12-/m1/s1
InChIKeyRJAOBCRTELGHDC-XHUCQOSOSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride
CID 120992063
2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 67953222
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-acetamido-N-[(1-ethylpiperidin-4-yl)methyl]-3-sulfanylpropanamide
CID 107769367
3-methoxy-2-(methylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 144653484
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide (CID 118349038) is (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCC1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide?
The InChIKey is RJAOBCRTELGHDC-XHUCQOSOSA-N. The full InChI is InChI=1S/C15H22F6N2O3/c1-8(24)23-12(7-26-2)13(25)22-6-9-3-10(14(16,17)18)5-11(4-9)15(19,20)21/h9-12H,3-7H2,1-2H3,(H,22,25)(H,23,24)/t9?,10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide has a molecular weight of 392.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 118349038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).