1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide

C24H29N7O2 — CID 1205262

IUPAC1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccc(C)cc3)CCCCC2)cc1
InChIInChI=1S/C24H29N7O2/c1-17-6-10-19(11-7-17)26-22(33)24(14-4-3-5-15-24)31(20-12-8-18(2)9-13-20)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)
InChIKeyQXMUNSDEZVHOOO-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.25
Rot. Bonds6

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

1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 1205262) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID1205262
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccc(C)cc3)CCCCC2)cc1
InChIInChI=1S/C24H29N7O2/c1-17-6-10-19(11-7-17)26-22(33)24(14-4-3-5-15-24)31(20-12-8-18(2)9-13-20)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)
InChIKeyQXMUNSDEZVHOOO-UHFFFAOYSA-N
XLogP3.25
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide (CID 1205262) is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccc(C)cc3)CCCCC2)cc1.
What is the InChIKey of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is QXMUNSDEZVHOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-17-6-10-19(11-7-17)26-22(33)24(14-4-3-5-15-24)31(20-12-8-18(2)9-13-20)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-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 1205262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).