N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide

C17H25N5O — CID 95860551

IUPACN-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide
SMILESCCCC[C@@H](CC)CNC(=O)c1ccccc1-n1nnnc1C
InChIInChI=1S/C17H25N5O/c1-4-6-9-14(5-2)12-18-17(23)15-10-7-8-11-16(15)22-13(3)19-20-21-22/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyPSXJEJOAENXVCN-CQSZACIVSA-N
MW315.42 g/mol
LogP2.92
Rot. Bonds8

About N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide

N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide (PubChem CID 95860551) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide
PubChem CID95860551
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide
SMILESCCCC[C@@H](CC)CNC(=O)c1ccccc1-n1nnnc1C
InChIInChI=1S/C17H25N5O/c1-4-6-9-14(5-2)12-18-17(23)15-10-7-8-11-16(15)22-13(3)19-20-21-22/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyPSXJEJOAENXVCN-CQSZACIVSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 71709929
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide
CID 94842488
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
CID 71703495
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-(2-indol-1-ylethyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 56762296
N-[(2R)-2-ethylhexyl]-2-methylfuran-3-carboxamide
CID 40537880
N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42941260
2-(2-ethylhexylcarbamoyl)pyridine-3-carboxylic acid
CID 63614926

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide (CID 95860551) is N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide is CCCC[C@@H](CC)CNC(=O)c1ccccc1-n1nnnc1C.
What is the InChIKey of N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is PSXJEJOAENXVCN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-6-9-14(5-2)12-18-17(23)15-10-7-8-11-16(15)22-13(3)19-20-21-22/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,18,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide?
N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 95860551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).