2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide

C16H21N5O2 — CID 131899761

IUPAC2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCC(=O)NC(C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)C(C)C
InChIInChI=1S/C16H21N5O2/c1-9(2)14(18-11(4)22)16(23)19-13-7-5-6-12(8-13)15-17-10(3)20-21-15/h5-9,14H,1-4H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyBVARKIMJHVUDKD-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.88
Rot. Bonds5

About 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide

2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 131899761) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID131899761
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCC(=O)NC(C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)C(C)C
InChIInChI=1S/C16H21N5O2/c1-9(2)14(18-11(4)22)16(23)19-13-7-5-6-12(8-13)15-17-10(3)20-21-15/h5-9,14H,1-4H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyBVARKIMJHVUDKD-UHFFFAOYSA-N
XLogP1.88
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
CID 119298771
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 61180537
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
CID 122157227
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
1-(1-hydroxy-4-methylpentan-3-yl)-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 111474600
N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971466
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 119043099
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
(2S)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 95646211

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide (CID 131899761) is 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide is CC(=O)NC(C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is BVARKIMJHVUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9(2)14(18-11(4)22)16(23)19-13-7-5-6-12(8-13)15-17-10(3)20-21-15/h5-9,14H,1-4H3,(H,18,22)(H,19,23)(H,17,20,21).
What are the key properties of 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide has a molecular weight of 315.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 131899761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).