1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

C24H29N7O4 — CID 3356468

IUPAC1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccc(OC)cc3)CCCCC2)cc1
InChIInChI=1S/C24H29N7O4/c1-34-19-10-6-17(7-11-19)26-22(33)24(14-4-3-5-15-24)31(18-8-12-20(35-2)13-9-18)21(32)16-30-23(25)27-28-29-30/h6-13H,3-5,14-16H2,1-2H3,(H,26,33)(H2,25,27,29)
InChIKeyCPORYPGBTFJXFK-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.65
Rot. Bonds8

About 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 3356468) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID3356468
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccc(OC)cc3)CCCCC2)cc1
InChIInChI=1S/C24H29N7O4/c1-34-19-10-6-17(7-11-19)26-22(33)24(14-4-3-5-15-24)31(18-8-12-20(35-2)13-9-18)21(32)16-30-23(25)27-28-29-30/h6-13H,3-5,14-16H2,1-2H3,(H,26,33)(H2,25,27,29)
InChIKeyCPORYPGBTFJXFK-UHFFFAOYSA-N
XLogP2.65
TPSA137.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 3356468) is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccc(OC)cc3)CCCCC2)cc1.
What is the InChIKey of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is CPORYPGBTFJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-34-19-10-6-17(7-11-19)26-22(33)24(14-4-3-5-15-24)31(18-8-12-20(35-2)13-9-18)21(32)16-30-23(25)27-28-29-30/h6-13H,3-5,14-16H2,1-2H3,(H,26,33)(H2,25,27,29).
What are the key properties of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3356468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).