2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide

C15H23N3O2 — CID 114398978

IUPAC2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
SMILESCCN1CCOC(CNC(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H23N3O2/c1-3-18-7-8-20-12(10-18)9-17-15(19)14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXRXSHOBVSLJVAL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.03
Rot. Bonds4

About 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide (PubChem CID 114398978) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
PubChem CID114398978
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
SMILESCCN1CCOC(CNC(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H23N3O2/c1-3-18-7-8-20-12(10-18)9-17-15(19)14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXRXSHOBVSLJVAL-UHFFFAOYSA-N
XLogP1.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide 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

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methoxybenzamide
CID 114399024
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115631010
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114398905

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide (CID 114398978) is 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide is CCN1CCOC(CNC(=O)c2c(C)cccc2N)C1.
What is the InChIKey of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide?
The InChIKey is XRXSHOBVSLJVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-18-7-8-20-12(10-18)9-17-15(19)14-11(2)5-4-6-13(14)16/h4-6,12H,3,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide?
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide is sourced from PubChem (CID 114398978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).