3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide

C14H25F3N2O — CID 95153501

IUPAC3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCCCN(C)CCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-3-9-19(2)10-8-13(20)18-12-7-5-4-6-11(12)14(15,16)17/h11-12H,3-10H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyOBJGQKDFHUGAFB-RYUDHWBXSA-N
MW294.36 g/mol
LogP2.96
Rot. Bonds6

About 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide

3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 95153501) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID95153501
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCCCN(C)CCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-3-9-19(2)10-8-13(20)18-12-7-5-4-6-11(12)14(15,16)17/h11-12H,3-10H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyOBJGQKDFHUGAFB-RYUDHWBXSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
CID 43712731
N-propyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 64756871
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
N-ethyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758268
N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112684964
2-piperidin-4-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 114626833
2-piperidin-4-yloxy-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 63876723
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 177402658
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide (CID 95153501) is 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide is CCCN(C)CCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is OBJGQKDFHUGAFB-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-3-9-19(2)10-8-13(20)18-12-7-5-4-6-11(12)14(15,16)17/h11-12H,3-10H2,1-2H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide?
3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 294.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 95153501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).