N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

C23H30N6O — CID 90728432

IUPACN-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN(C)C)cc(-n3nnnc3C(C)C)c2)cc1
InChIInChI=1S/C23H30N6O/c1-15(2)22-25-26-27-29(22)21-12-19(18-9-7-16(3)8-10-18)11-20(13-21)23(30)24-17(4)14-28(5)6/h7-13,15,17H,14H2,1-6H3,(H,24,30)
InChIKeyRXTXPZMCSYAHMF-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.44
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide

N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (PubChem CID 90728432) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
PubChem CID90728432
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN(C)C)cc(-n3nnnc3C(C)C)c2)cc1
InChIInChI=1S/C23H30N6O/c1-15(2)22-25-26-27-29(22)21-12-19(18-9-7-16(3)8-10-18)11-20(13-21)23(30)24-17(4)14-28(5)6/h7-13,15,17H,14H2,1-6H3,(H,24,30)
InChIKeyRXTXPZMCSYAHMF-UHFFFAOYSA-N
XLogP3.44
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide (CID 90728432) is N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)CN(C)C)cc(-n3nnnc3C(C)C)c2)cc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
The InChIKey is RXTXPZMCSYAHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15(2)22-25-26-27-29(22)21-12-19(18-9-7-16(3)8-10-18)11-20(13-21)23(30)24-17(4)14-28(5)6/h7-13,15,17H,14H2,1-6H3,(H,24,30).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide?
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide is sourced from PubChem (CID 90728432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).