(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide

C16H21F3N2O2 — CID 124849209

IUPAC(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-9(2)14(21-15(23)10(3)7-13(20)22)11-5-4-6-12(8-11)16(17,18)19/h4-6,8-10,14H,7H2,1-3H3,(H2,20,22)(H,21,23)/t10-,14+/m1/s1
InChIKeyOFONOOUUHLMCGH-YGRLFVJLSA-N
MW330.35 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide

(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide (PubChem CID 124849209) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
PubChem CID124849209
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-9(2)14(21-15(23)10(3)7-13(20)22)11-5-4-6-12(8-11)16(17,18)19/h4-6,8-10,14H,7H2,1-3H3,(H2,20,22)(H,21,23)/t10-,14+/m1/s1
InChIKeyOFONOOUUHLMCGH-YGRLFVJLSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077
3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 120610313
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
3-[3-(trifluoromethyl)phenyl]hexanamide
CID 112509132
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
(2R)-2-[[(3S)-3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 129415123
3-[3-[3-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221372
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide?
The IUPAC name of (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide (CID 124849209) is (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide.
What is the SMILES notation for (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide?
The canonical SMILES for (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide is CC(C)[C@H](NC(=O)[C@H](C)CC(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide?
The InChIKey is OFONOOUUHLMCGH-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-9(2)14(21-15(23)10(3)7-13(20)22)11-5-4-6-12(8-11)16(17,18)19/h4-6,8-10,14H,7H2,1-3H3,(H2,20,22)(H,21,23)/t10-,14+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide?
(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide has a molecular weight of 330.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide is sourced from PubChem (CID 124849209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).