N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide

C14H20N2O3 — CID 108879035

IUPACN-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-11-3-4-13(9-12(11)2)19-10-15-14(17)16-5-7-18-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyGYYYNGDJPBAIGO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.68
Rot. Bonds3

About N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide

N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide (PubChem CID 108879035) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
PubChem CID108879035
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
SMILESCc1ccc(OCNC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-11-3-4-13(9-12(11)2)19-10-15-14(17)16-5-7-18-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyGYYYNGDJPBAIGO-UHFFFAOYSA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(3,4-dimethylphenoxy)methyl]morpholine-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

Related Compounds

N-[(3,4-dimethylphenoxy)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108879128
4-(2-aminoethyl)-N-[(3,4-dimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108879089
1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108879170
2-(3,4-dimethylphenoxy)-N-morpholin-4-ylacetamide
CID 17443595
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
N-[(4-chloro-3,5-dimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108877852
N-[(3,4-dimethylphenoxy)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108879278
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 56921966
1-[(3,4-dimethylphenoxy)methyl]-3-(3-methoxypropyl)urea
CID 108879016
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide (CID 108879035) is N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide is Cc1ccc(OCNC(=O)N2CCOCC2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide?
The InChIKey is GYYYNGDJPBAIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-3-4-13(9-12(11)2)19-10-15-14(17)16-5-7-18-8-6-16/h3-4,9H,5-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide?
N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 108879035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).