4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C21H24N6O4 — CID 3229791

IUPAC4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOCCCNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C21H24N6O4/c1-30-13-5-12-22-19(28)14-27-25-20(24-26-27)17-6-3-4-7-18(17)23-21(29)15-8-10-16(31-2)11-9-15/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyNHTUMNBHFIEWRT-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.75
Rot. Bonds10

About 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 3229791) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID3229791
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOCCCNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C21H24N6O4/c1-30-13-5-12-22-19(28)14-27-25-20(24-26-27)17-6-3-4-7-18(17)23-21(29)15-8-10-16(31-2)11-9-15/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyNHTUMNBHFIEWRT-UHFFFAOYSA-N
XLogP1.75
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
CID 118737180
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide
CID 134130004
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 3229791) is 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is COCCCNC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is NHTUMNBHFIEWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-30-13-5-12-22-19(28)14-27-25-20(24-26-27)17-6-3-4-7-18(17)23-21(29)15-8-10-16(31-2)11-9-15/h3-4,6-11H,5,12-14H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 3229791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).