1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

C23H29N7O3 — CID 1258197

IUPAC1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)Cn2nnnc2N)CCCCC1
InChIInChI=1S/C23H29N7O3/c1-16-8-6-9-17(2)20(16)25-21(32)23(11-4-3-5-12-23)29(14-18-10-7-13-33-18)19(31)15-30-22(24)26-27-28-30/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,32)(H2,24,26,28)
InChIKeyDBNNGZUKDIPRRI-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.84
Rot. Bonds7

About 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 1258197) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
PubChem CID1258197
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC Name1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)Cn2nnnc2N)CCCCC1
InChIInChI=1S/C23H29N7O3/c1-16-8-6-9-17(2)20(16)25-21(32)23(11-4-3-5-12-23)29(14-18-10-7-13-33-18)19(31)15-30-22(24)26-27-28-30/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,32)(H2,24,26,28)
InChIKeyDBNNGZUKDIPRRI-UHFFFAOYSA-N
XLogP2.84
TPSA132.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-{(1-tert-Butyl-1H-tetrazol-5-yl)-[4-(furan-2-carbonyl)-piperazin-1-yl]-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 644766
3-{[Cyclohexyl-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-ethoxy-1H-quinolin-2-one
CID 645256
3-{[(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-phenethyl-amino]-methyl}-7-methoxy-1H-quinolin-2-one
CID 645429
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2-ylmethyl-amino}-methyl)-6-ethoxy-1H-quinolin-2-one
CID 646133
6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
CID 646225
3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 646349
3-({Furan-2-ylmethyl-[2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 649371
3-({Furan-2-ylmethyl-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 649417
3-({[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-phenethyl-amino}-methyl)-8-methyl-1H-quinolin-2-one
CID 650011
6-Ethyl-3-{[(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-(2-methoxy-benzyl)-amino]-methyl}-1H-quinolin-2-one
CID 651078
Furan-2-carboxylic acid (cyclohexylcarbamoyl-phenyl-methyl)-(3-methyl-4-tetrazol-1-yl-phenyl)-amide
CID 651349
6-ethoxy-3-[[2-furanylmethyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
CID 652822

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide (CID 1258197) is 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)Cn2nnnc2N)CCCCC1.
What is the InChIKey of 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is DBNNGZUKDIPRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-16-8-6-9-17(2)20(16)25-21(32)23(11-4-3-5-12-23)29(14-18-10-7-13-33-18)19(31)15-30-22(24)26-27-28-30/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,32)(H2,24,26,28).
What are the key properties of 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide?
1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-aminotetrazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 1258197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).