methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate

C19H25N5O4 — CID 30313787

IUPACmethyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
SMILESCOC(=O)c1ccccc1-n1nnnc1C1(N(C)C(=O)OC)CCC(C)CC1
InChIInChI=1S/C19H25N5O4/c1-13-9-11-19(12-10-13,23(2)18(26)28-4)17-20-21-22-24(17)15-8-6-5-7-14(15)16(25)27-3/h5-8,13H,9-12H2,1-4H3
InChIKeyZTODAKLHKSLJDN-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.55
Rot. Bonds4

About methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate

methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate (PubChem CID 30313787) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
PubChem CID30313787
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Namemethyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
SMILESCOC(=O)c1ccccc1-n1nnnc1C1(N(C)C(=O)OC)CCC(C)CC1
InChIInChI=1S/C19H25N5O4/c1-13-9-11-19(12-10-13,23(2)18(26)28-4)17-20-21-22-24(17)15-8-6-5-7-14(15)16(25)27-3/h5-8,13H,9-12H2,1-4H3
InChIKeyZTODAKLHKSLJDN-UHFFFAOYSA-N
XLogP2.55
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313814
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313782
2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
CID 30313521
ethyl N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313837
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylbenzamide
CID 30313565
ethyl 4-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313542
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methoxy-N-methylacetamide
CID 30313505

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate?
The IUPAC name of methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate (CID 30313787) is methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate.
What is the SMILES notation for methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate?
The canonical SMILES for methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate is COC(=O)c1ccccc1-n1nnnc1C1(N(C)C(=O)OC)CCC(C)CC1.
What is the InChIKey of methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate?
The InChIKey is ZTODAKLHKSLJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-13-9-11-19(12-10-13,23(2)18(26)28-4)17-20-21-22-24(17)15-8-6-5-7-14(15)16(25)27-3/h5-8,13H,9-12H2,1-4H3.
What are the key properties of methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate?
methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate has a molecular weight of 387.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate is sourced from PubChem (CID 30313787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).