N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide

C24H22N6O3 — CID 2115190

IUPACN-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)cc2)cc1
InChIInChI=1S/C24H22N6O3/c1-2-33-21-14-12-20(13-15-21)26-23(31)18-8-10-19(11-9-18)27-24(32)22(30-16-25-28-29-30)17-6-4-3-5-7-17/h3-16,22H,2H2,1H3,(H,26,31)(H,27,32)/t22-/m1/s1
InChIKeyORTAGMMLZZZNFB-JOCHJYFZSA-N
MW442.48 g/mol
LogP3.55
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide (PubChem CID 2115190) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide
PubChem CID2115190
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC NameN-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)cc2)cc1
InChIInChI=1S/C24H22N6O3/c1-2-33-21-14-12-20(13-15-21)26-23(31)18-8-10-19(11-9-18)27-24(32)22(30-16-25-28-29-30)17-6-4-3-5-7-17/h3-16,22H,2H2,1H3,(H,26,31)(H,27,32)/t22-/m1/s1
InChIKeyORTAGMMLZZZNFB-JOCHJYFZSA-N
XLogP3.55
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97265723
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
2-[[4-[(4-ethoxybenzoyl)amino]benzoyl]amino]benzoate
CID 9325388

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide (CID 2115190) is N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide?
The InChIKey is ORTAGMMLZZZNFB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-2-33-21-14-12-20(13-15-21)26-23(31)18-8-10-19(11-9-18)27-24(32)22(30-16-25-28-29-30)17-6-4-3-5-7-17/h3-16,22H,2H2,1H3,(H,26,31)(H,27,32)/t22-/m1/s1.
What are the key properties of N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide has a molecular weight of 442.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 2115190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).