2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide

C12H21F3N2O2 — CID 120991506

IUPAC2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCOCC(N)C(=O)NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-19-7-10(16)11(18)17-6-8-2-4-9(5-3-8)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyVFPQODMQQSIRNY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.45
Rot. Bonds5

About 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide

2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide (PubChem CID 120991506) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide
PubChem CID120991506
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCOCC(N)C(=O)NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-19-7-10(16)11(18)17-6-8-2-4-9(5-3-8)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyVFPQODMQQSIRNY-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide
CID 90383827
(2R)-2-acetamido-N-[[3,5-bis(trifluoromethyl)cyclohexyl]methyl]-3-methoxypropanamide
CID 118349038
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
CID 164604020
N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 60275378
2-amino-4-methoxy-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 62472480
2-amino-4-methoxy-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62472835
2-amino-4-methoxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 62474646
3-amino-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 64892737
3-amino-N-[2-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 64892941
3-amino-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
CID 64894168
N-[4-(trifluoromethyl)cyclohexyl]morpholine-3-carboxamide
CID 65519217
N-[2-(trifluoromethyl)cyclohexyl]morpholine-3-carboxamide
CID 65519219

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide (CID 120991506) is 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide is COCC(N)C(=O)NCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The InChIKey is VFPQODMQQSIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-19-7-10(16)11(18)17-6-8-2-4-9(5-3-8)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide?
2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[[4-(trifluoromethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 120991506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).