N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide

C18H18N6O2 — CID 24795719

IUPACN,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide
SMILESCN(C)C(=O)n1nnnc1CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N6O2/c1-23(2)18(26)24-16(20-21-22-24)12-19-17(25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,25)
InChIKeyPFBQSFDBNHDQTO-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.80
Rot. Bonds4

About N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide

N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide (PubChem CID 24795719) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide
PubChem CID24795719
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide
SMILESCN(C)C(=O)n1nnnc1CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N6O2/c1-23(2)18(26)24-16(20-21-22-24)12-19-17(25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,25)
InChIKeyPFBQSFDBNHDQTO-UHFFFAOYSA-N
XLogP1.80
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide (CID 24795719) is N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide is CN(C)C(=O)n1nnnc1CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide?
The InChIKey is PFBQSFDBNHDQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23(2)18(26)24-16(20-21-22-24)12-19-17(25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,25).
What are the key properties of N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide?
N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide is sourced from PubChem (CID 24795719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).