3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide

C19H21N5O4 — CID 45494122

IUPAC3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-26-16-8-6-14(11-15(16)24-12-20-22-23-24)21-19(25)9-5-13-4-7-17(27-2)18(10-13)28-3/h4,6-8,10-12H,5,9H2,1-3H3,(H,21,25)
InChIKeyDJQJKZJNWDBBJZ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.26
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 45494122) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID45494122
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C19H21N5O4/c1-26-16-8-6-14(11-15(16)24-12-20-22-23-24)21-19(25)9-5-13-4-7-17(27-2)18(10-13)28-3/h4,6-8,10-12H,5,9H2,1-3H3,(H,21,25)
InChIKeyDJQJKZJNWDBBJZ-UHFFFAOYSA-N
XLogP2.26
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45493492
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-(2-phenylphenoxy)propanamide
CID 154861700
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 110744582
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 119798058
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide (CID 45494122) is 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is DJQJKZJNWDBBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-16-8-6-14(11-15(16)24-12-20-22-23-24)21-19(25)9-5-13-4-7-17(27-2)18(10-13)28-3/h4,6-8,10-12H,5,9H2,1-3H3,(H,21,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 383.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 45494122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).