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

C24H29N7O2 — CID 1204935

IUPAC1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3ccccc3C)CCCCC2)cc1
InChIInChI=1S/C24H29N7O2/c1-17-10-12-19(13-11-17)31(21(32)16-30-23(25)27-28-29-30)24(14-6-3-7-15-24)22(33)26-20-9-5-4-8-18(20)2/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,26,33)(H2,25,27,29)
InChIKeyILFVWLOSUADXMY-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.25
Rot. Bonds6

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

1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 1204935) 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-(2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID1204935
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3ccccc3C)CCCCC2)cc1
InChIInChI=1S/C24H29N7O2/c1-17-10-12-19(13-11-17)31(21(32)16-30-23(25)27-28-29-30)24(14-6-3-7-15-24)22(33)26-20-9-5-4-8-18(20)2/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,26,33)(H2,25,27,29)
InChIKeyILFVWLOSUADXMY-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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Related Compounds

Cambridge id 6526014
CID 882743
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
1-{[(5-amino-1H-tetrazol-1-yl)acetyl](4-methylphenyl)amino}-N-(4-methylphenyl)cyclohexanecarboxamide
CID 1205262
Pyrrolidine-1,2-dicarboxylic acid 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide] 1-p-tolylamide
CID 3219768
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231809
2-Acetylamino-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-3-o-tolyl-propionamide
CID 3232519
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 44333068
1-[[(5-amino-1H-tetrazol-1-yl)acetyl](isobutyl)amino]-N-(4-methylphenyl)cyclohexanecarboxamide
CID 1045078
N-(2-benzylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2612876
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3232501
N-phenyl-N-(1-(phenylcarbamoyl)cyclohexyl)-4-(1H-tetrazol-1-yl)benzamide
CID 45267412
N-[1-[(2,6-dimethylanilino)-oxomethyl]cyclopentyl]-N-(phenylmethyl)-4-(1-tetrazolyl)benzamide
CID 3917094

Frequently Asked Questions

What is the IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide (CID 1204935) is 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3ccccc3C)CCCCC2)cc1.
What is the InChIKey of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is ILFVWLOSUADXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-17-10-12-19(13-11-17)31(21(32)16-30-23(25)27-28-29-30)24(14-6-3-7-15-24)22(33)26-20-9-5-4-8-18(20)2/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,26,33)(H2,25,27,29).
What are the key properties of 1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-methylphenyl)cyclohexane-1-carboxamide?
1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methylanilino)-N-(2-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-(2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 1204935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).