N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide

C13H17N5O — CID 95629362

IUPACN-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)c1nnn(C)n1
InChIInChI=1S/C13H17N5O/c1-9(2)11(12-15-17-18(3)16-12)14-13(19)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,19)/t11-/m0/s1
InChIKeyUJAXORYSSKLVSJ-NSHDSACASA-N
MW259.31 g/mol
LogP1.34
Rot. Bonds4

About N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide

N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide (PubChem CID 95629362) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide
PubChem CID95629362
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)c1nnn(C)n1
InChIInChI=1S/C13H17N5O/c1-9(2)11(12-15-17-18(3)16-12)14-13(19)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,19)/t11-/m0/s1
InChIKeyUJAXORYSSKLVSJ-NSHDSACASA-N
XLogP1.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide
CID 154795248
N-[(1S)-2-methyl-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]tetrazol-5-yl]propyl]benzamide
CID 164632125
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylpropyl]benzamide
CID 51371078
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
N-[2-methyl-1-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propyl]benzamide
CID 14971536
N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-methylpropyl]benzamide
CID 1092763
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[2-methyl-1-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propyl]benzamide
CID 3498232
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide?
The IUPAC name of N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide (CID 95629362) is N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1)c1nnn(C)n1.
What is the InChIKey of N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide?
The InChIKey is UJAXORYSSKLVSJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)11(12-15-17-18(3)16-12)14-13(19)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide?
N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 95629362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).