2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide

C18H29N3O3 — CID 95613023

IUPAC2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCCN1CCO[C@H](CNCc2ccccc2OCC(=O)N(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-4-21-9-10-23-16(13-21)12-19-11-15-7-5-6-8-17(15)24-14-18(22)20(2)3/h5-8,16,19H,4,9-14H2,1-3H3/t16-/m1/s1
InChIKeyKNISOHFKZCGVLC-MRXNPFEDSA-N
MW335.45 g/mol
LogP0.96
Rot. Bonds8

About 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide

2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 95613023) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID95613023
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCCN1CCO[C@H](CNCc2ccccc2OCC(=O)N(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-4-21-9-10-23-16(13-21)12-19-11-15-7-5-6-8-17(15)24-14-18(22)20(2)3/h5-8,16,19H,4,9-14H2,1-3H3/t16-/m1/s1
InChIKeyKNISOHFKZCGVLC-MRXNPFEDSA-N
XLogP0.96
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide 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-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzamide
CID 114399817
2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 129001467
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
2-[2-[[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 52504042
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
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
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide (CID 95613023) is 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide is CCN1CCO[C@H](CNCc2ccccc2OCC(=O)N(C)C)C1.
What is the InChIKey of 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is KNISOHFKZCGVLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-21-9-10-23-16(13-21)12-19-11-15-7-5-6-8-17(15)24-14-18(22)20(2)3/h5-8,16,19H,4,9-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 335.45 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 95613023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).