(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide

C15H21N5O — CID 103928696

IUPAC(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCn1cnnc1-c1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)12(16)14(21)18-11-7-5-10(6-8-11)13-19-17-9-20(13)4/h5-9,12H,16H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyXZZWIVHHHUIUAE-LBPRGKRZSA-N
MW287.37 g/mol
LogP1.79
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 103928696) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID103928696
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCn1cnnc1-c1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)12(16)14(21)18-11-7-5-10(6-8-11)13-19-17-9-20(13)4/h5-9,12H,16H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyXZZWIVHHHUIUAE-LBPRGKRZSA-N
XLogP1.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 107568474
(2R)-2-amino-4-methylsulfanyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 104907204
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
2,2,2-trifluoroethyl N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamate
CID 62494813
2-amino-N-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60848681
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide
CID 119704480
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
1-(aminomethyl)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 115452405
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 61178866
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide (CID 103928696) is (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is Cn1cnnc1-c1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is XZZWIVHHHUIUAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)12(16)14(21)18-11-7-5-10(6-8-11)13-19-17-9-20(13)4/h5-9,12H,16H2,1-4H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide has a molecular weight of 287.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 103928696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).