N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide

C19H21N5O2 — CID 31354794

IUPACN-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1
InChIInChI=1S/C19H21N5O2/c1-12(2)17(13-8-10-16(26-3)11-9-13)20-19(25)15-6-4-14(5-7-15)18-21-23-24-22-18/h4-12,17H,1-3H3,(H,20,25)(H,21,22,23,24)/t17-/m1/s1
InChIKeyZLLUQEHFHHXFPB-QGZVFWFLSA-N
MW351.41 g/mol
LogP3.00
Rot. Bonds6

About N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide

N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 31354794) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
PubChem CID31354794
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc([C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1
InChIInChI=1S/C19H21N5O2/c1-12(2)17(13-8-10-16(26-3)11-9-13)20-19(25)15-6-4-14(5-7-15)18-21-23-24-22-18/h4-12,17H,1-3H3,(H,20,25)(H,21,22,23,24)/t17-/m1/s1
InChIKeyZLLUQEHFHHXFPB-QGZVFWFLSA-N
XLogP3.00
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate
CID 167764158
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048728
4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048652
3,5-dimethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzamide
CID 55395267
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide (CID 31354794) is N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide is COc1ccc([C@H](NC(=O)c2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is ZLLUQEHFHHXFPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)17(13-8-10-16(26-3)11-9-13)20-19(25)15-6-4-14(5-7-15)18-21-23-24-22-18/h4-12,17H,1-3H3,(H,20,25)(H,21,22,23,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide?
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 31354794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).