N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide

C16H25N3O2 — CID 75499475

IUPACN-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CCOC(C)C2C)cccc1N(C)C
InChIInChI=1S/C16H25N3O2/c1-11-14(7-6-8-15(11)18(4)5)17-16(20)19-9-10-21-13(3)12(19)2/h6-8,12-13H,9-10H2,1-5H3,(H,17,20)
InChIKeyNXFFKUCRSLSJCA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.70
Rot. Bonds2

About N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide

N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide (PubChem CID 75499475) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide
PubChem CID75499475
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide
SMILESCc1c(NC(=O)N2CCOC(C)C2C)cccc1N(C)C
InChIInChI=1S/C16H25N3O2/c1-11-14(7-6-8-15(11)18(4)5)17-16(20)19-9-10-21-13(3)12(19)2/h6-8,12-13H,9-10H2,1-5H3,(H,17,20)
InChIKeyNXFFKUCRSLSJCA-UHFFFAOYSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-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-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide (CID 75499475) is N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide is Cc1c(NC(=O)N2CCOC(C)C2C)cccc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
The InChIKey is NXFFKUCRSLSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-14(7-6-8-15(11)18(4)5)17-16(20)19-9-10-21-13(3)12(19)2/h6-8,12-13H,9-10H2,1-5H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide?
N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-methylphenyl]-2,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 75499475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).