methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate

C18H17N5O3 — CID 55616965

IUPACmethyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C18H17N5O3/c1-11-4-5-14(18(25)26-3)9-15(11)20-17(24)13-6-7-16(12(2)8-13)23-10-19-21-22-23/h4-10H,1-3H3,(H,20,24)
InChIKeyDMQOZEANBVPSMQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.32
Rot. Bonds4

About methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate

methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 55616965) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID55616965
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Namemethyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C18H17N5O3/c1-11-4-5-14(18(25)26-3)9-15(11)20-17(24)13-6-7-16(12(2)8-13)23-10-19-21-22-23/h4-10H,1-3H3,(H,20,24)
InChIKeyDMQOZEANBVPSMQ-UHFFFAOYSA-N
XLogP2.32
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55773373
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616644
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 55616965) is methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccc(-n3cnnn3)c(C)c2)c1.
What is the InChIKey of methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is DMQOZEANBVPSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-4-5-14(18(25)26-3)9-15(11)20-17(24)13-6-7-16(12(2)8-13)23-10-19-21-22-23/h4-10H,1-3H3,(H,20,24).
What are the key properties of methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 351.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 55616965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).