N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide

C16H24N6O2 — CID 143866922

IUPACN,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide
SMILESCC(=O)N(C)C.Cc1ccc(Cc2nnnn2C(=O)N(C)C)cc1
InChIInChI=1S/C12H15N5O.C4H9NO/c1-9-4-6-10(7-5-9)8-11-13-14-15-17(11)12(18)16(2)3;1-4(6)5(2)3/h4-7H,8H2,1-3H3;1-3H3
InChIKeyOQGHXMXRGDSMQK-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.20
Rot. Bonds2

About N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide

N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide (PubChem CID 143866922) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide
PubChem CID143866922
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide
SMILESCC(=O)N(C)C.Cc1ccc(Cc2nnnn2C(=O)N(C)C)cc1
InChIInChI=1S/C12H15N5O.C4H9NO/c1-9-4-6-10(7-5-9)8-11-13-14-15-17(11)12(18)16(2)3;1-4(6)5(2)3/h4-7H,8H2,1-3H3;1-3H3
InChIKeyOQGHXMXRGDSMQK-UHFFFAOYSA-N
XLogP1.20
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
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-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide?
The IUPAC name of N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide (CID 143866922) is N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide.
What is the SMILES notation for N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide?
The canonical SMILES for N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide is CC(=O)N(C)C.Cc1ccc(Cc2nnnn2C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide?
The InChIKey is OQGHXMXRGDSMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O.C4H9NO/c1-9-4-6-10(7-5-9)8-11-13-14-15-17(11)12(18)16(2)3;1-4(6)5(2)3/h4-7H,8H2,1-3H3;1-3H3.
What are the key properties of N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide?
N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;N,N-dimethyl-5-[(4-methylphenyl)methyl]tetrazole-1-carboxamide is sourced from PubChem (CID 143866922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).