N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide

C20H29N5O2 — CID 11222500

IUPACN-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(C(C)CCc2ccccc2)c1=O)C1CCCCC1
InChIInChI=1S/C20H29N5O2/c1-3-23(18-12-8-5-9-13-18)19(26)25-20(27)24(21-22-25)16(2)14-15-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,3,5,8-9,12-15H2,1-2H3
InChIKeyUELABPVGNQCOND-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.26
Rot. Bonds6

About N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide

N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide (PubChem CID 11222500) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide
PubChem CID11222500
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(C(C)CCc2ccccc2)c1=O)C1CCCCC1
InChIInChI=1S/C20H29N5O2/c1-3-23(18-12-8-5-9-13-18)19(26)25-20(27)24(21-22-25)16(2)14-15-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,3,5,8-9,12-15H2,1-2H3
InChIKeyUELABPVGNQCOND-UHFFFAOYSA-N
XLogP3.26
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide (CID 11222500) is N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide is CCN(C(=O)n1nnn(C(C)CCc2ccccc2)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide?
The InChIKey is UELABPVGNQCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-23(18-12-8-5-9-13-18)19(26)25-20(27)24(21-22-25)16(2)14-15-17-10-6-4-7-11-17/h4,6-7,10-11,16,18H,3,5,8-9,12-15H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide?
N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-oxo-4-(4-phenylbutan-2-yl)tetrazole-1-carboxamide is sourced from PubChem (CID 11222500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).