2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C23H28ClN7O3 — CID 645507

IUPAC2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(C)c1ccc(C(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C23H28ClN7O3/c1-29(2)20-9-3-17(4-10-20)21(30-11-14-33-15-12-30)22-26-27-28-31(22)13-16-34-23(32)25-19-7-5-18(24)6-8-19/h3-10,21H,11-16H2,1-2H3,(H,25,32)
InChIKeyXKENEBBNLDNBCT-UHFFFAOYSA-N
MW485.98 g/mol
LogP3.06
Rot. Bonds8

About 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 645507) has the molecular formula C23H28ClN7O3 and a molecular weight of 485.98 g/mol. Its IUPAC name is 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID645507
Molecular FormulaC23H28ClN7O3
Molecular Weight485.98 g/mol
Exact Mass485.19
IUPAC Name2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(C)c1ccc(C(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1
InChIInChI=1S/C23H28ClN7O3/c1-29(2)20-9-3-17(4-10-20)21(30-11-14-33-15-12-30)22-26-27-28-31(22)13-16-34-23(32)25-19-7-5-18(24)6-8-19/h3-10,21H,11-16H2,1-2H3,(H,25,32)
InChIKeyXKENEBBNLDNBCT-UHFFFAOYSA-N
XLogP3.06
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.98
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate 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 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 645507) is 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is CN(C)c1ccc(C(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1.
What is the InChIKey of 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is XKENEBBNLDNBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O3/c1-29(2)20-9-3-17(4-10-20)21(30-11-14-33-15-12-30)22-26-27-28-31(22)13-16-34-23(32)25-19-7-5-18(24)6-8-19/h3-10,21H,11-16H2,1-2H3,(H,25,32).
What are the key properties of 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 485.98 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 645507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).