2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide

C15H23N3O2 — CID 114399817

IUPAC2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
SMILESCCN1CCOC(CNCc2ccccc2C(N)=O)C1
InChIInChI=1S/C15H23N3O2/c1-2-18-7-8-20-13(11-18)10-17-9-12-5-3-4-6-14(12)15(16)19/h3-6,13,17H,2,7-11H2,1H3,(H2,16,19)
InChIKeyDPNKETDGVHDPGR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.60
Rot. Bonds6

About 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide

2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide (PubChem CID 114399817) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
PubChem CID114399817
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
SMILESCCN1CCOC(CNCc2ccccc2C(N)=O)C1
InChIInChI=1S/C15H23N3O2/c1-2-18-7-8-20-13(11-18)10-17-9-12-5-3-4-6-14(12)15(16)19/h3-6,13,17H,2,7-11H2,1H3,(H2,16,19)
InChIKeyDPNKETDGVHDPGR-UHFFFAOYSA-N
XLogP0.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 95613023
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate
CID 79083227
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78946861
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 114399661

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide?
The IUPAC name of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide (CID 114399817) is 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide?
The canonical SMILES for 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide is CCN1CCOC(CNCc2ccccc2C(N)=O)C1.
What is the InChIKey of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide?
The InChIKey is DPNKETDGVHDPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18-7-8-20-13(11-18)10-17-9-12-5-3-4-6-14(12)15(16)19/h3-6,13,17H,2,7-11H2,1H3,(H2,16,19).
What are the key properties of 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide?
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 114399817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).