(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide

C15H20N4O — CID 95907498

IUPAC(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(C)Cc1ncnn1C)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-4-13(12-8-6-5-7-9-12)15(20)18(2)10-14-16-11-17-19(14)3/h5-9,11,13H,4,10H2,1-3H3/t13-/m1/s1
InChIKeyQFKBUHBAGSDKRM-CYBMUJFWSA-N
MW272.35 g/mol
LogP1.97
Rot. Bonds5

About (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide

(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide (PubChem CID 95907498) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide
PubChem CID95907498
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(C)Cc1ncnn1C)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-4-13(12-8-6-5-7-9-12)15(20)18(2)10-14-16-11-17-19(14)3/h5-9,11,13H,4,10H2,1-3H3/t13-/m1/s1
InChIKeyQFKBUHBAGSDKRM-CYBMUJFWSA-N
XLogP1.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
2-chloro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 138041016
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 71985750
N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 71985757
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929
2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
CID 115773269
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
CID 97329664
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79434797

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide (CID 95907498) is (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide is CC[C@@H](C(=O)N(C)Cc1ncnn1C)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide?
The InChIKey is QFKBUHBAGSDKRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-13(12-8-6-5-7-9-12)15(20)18(2)10-14-16-11-17-19(14)3/h5-9,11,13H,4,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide?
(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 95907498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).