4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide

C24H23N7O3 — CID 11619480

IUPAC4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O3/c1-31(2)23(32)16-6-4-15(5-7-16)17-8-13-21(20(14-17)22-27-29-30-28-22)26-24(33)25-18-9-11-19(34-3)12-10-18/h4-14H,1-3H3,(H2,25,26,33)(H,27,28,29,30)
InChIKeyQTHSPIHKCAYYHH-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.89
Rot. Bonds6

About 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide

4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide (PubChem CID 11619480) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
PubChem CID11619480
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O3/c1-31(2)23(32)16-6-4-15(5-7-16)17-8-13-21(20(14-17)22-27-29-30-28-22)26-24(33)25-18-9-11-19(34-3)12-10-18/h4-14H,1-3H3,(H2,25,26,33)(H,27,28,29,30)
InChIKeyQTHSPIHKCAYYHH-UHFFFAOYSA-N
XLogP3.89
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-methoxyphenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11853644
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11168394
2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
CID 10069617
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 68883605
1-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 170434313
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide
CID 173223106
4-[(4-methoxyphenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 8684720
5-(4-methoxyphenyl)-4-(2H-tetrazol-5-yl)thiophene-2-carboxylic acid
CID 11846376
N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 158054063
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylpropanamide
CID 67043382

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide (CID 11619480) is 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide is COc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is QTHSPIHKCAYYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-31(2)23(32)16-6-4-15(5-7-16)17-8-13-21(20(14-17)22-27-29-30-28-22)26-24(33)25-18-9-11-19(34-3)12-10-18/h4-14H,1-3H3,(H2,25,26,33)(H,27,28,29,30).
What are the key properties of 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 457.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 11619480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).