N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide

C15H20N6O2 — CID 94197439

IUPACN-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C15H20N6O2/c1-3-11(2)18-15(23)13-6-4-12(5-7-13)8-16-14(22)9-21-10-17-19-20-21/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,22)(H,18,23)/t11-/m0/s1
InChIKeyMAOFFJHDAWTGQU-NSHDSACASA-N
MW316.37 g/mol
LogP0.52
Rot. Bonds7

About N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide

N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide (PubChem CID 94197439) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
PubChem CID94197439
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C15H20N6O2/c1-3-11(2)18-15(23)13-6-4-12(5-7-13)8-16-14(22)9-21-10-17-19-20-21/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,22)(H,18,23)/t11-/m0/s1
InChIKeyMAOFFJHDAWTGQU-NSHDSACASA-N
XLogP0.52
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197438
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 51105980
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 134025159
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 100906614
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
CID 94197302
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
CID 51082846
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide (CID 94197439) is N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide is CC[C@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnnn2)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide?
The InChIKey is MAOFFJHDAWTGQU-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-11(2)18-15(23)13-6-4-12(5-7-13)8-16-14(22)9-21-10-17-19-20-21/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,22)(H,18,23)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide?
N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide has a molecular weight of 316.37 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 94197439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).