N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide

C17H23ClN6O2 — CID 29256044

IUPACN-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)NCc2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C17H23ClN6O2/c1-12-8-23(9-13(2)26-12)10-16-20-21-22-24(16)11-17(25)19-7-14-4-3-5-15(18)6-14/h3-6,12-13H,7-11H2,1-2H3,(H,19,25)/t12-,13+
InChIKeyTXURFDOLVWOCSK-BETUJISGSA-N
MW378.86 g/mol
LogP1.25
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide

N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide (PubChem CID 29256044) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide
PubChem CID29256044
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)NCc2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C17H23ClN6O2/c1-12-8-23(9-13(2)26-12)10-16-20-21-22-24(16)11-17(25)19-7-14-4-3-5-15(18)6-14/h3-6,12-13H,7-11H2,1-2H3,(H,19,25)/t12-,13+
InChIKeyTXURFDOLVWOCSK-BETUJISGSA-N
XLogP1.25
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide 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-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide (CID 29256044) is N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide is C[C@@H]1CN(Cc2nnnn2CC(=O)NCc2cccc(Cl)c2)C[C@H](C)O1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
The InChIKey is TXURFDOLVWOCSK-BETUJISGSA-N. The full InChI is InChI=1S/C17H23ClN6O2/c1-12-8-23(9-13(2)26-12)10-16-20-21-22-24(16)11-17(25)19-7-14-4-3-5-15(18)6-14/h3-6,12-13H,7-11H2,1-2H3,(H,19,25)/t12-,13+.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide has a molecular weight of 378.86 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 29256044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).