2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

C17H26N2O3 — CID 78793510

IUPAC2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-3-21-15-8-6-14(7-9-15)12-19(2)13-17(20)18-11-16-5-4-10-22-16/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyYGKPJJCVQKLNRO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.81
Rot. Bonds8

About 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 78793510) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID78793510
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O3/c1-3-21-15-8-6-14(7-9-15)12-19(2)13-17(20)18-11-16-5-4-10-22-16/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyYGKPJJCVQKLNRO-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
2-[[(4-ethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 93156261
1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2913013
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60507252
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 43888517

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 78793510) is 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is CCOc1ccc(CN(C)CC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YGKPJJCVQKLNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-21-15-8-6-14(7-9-15)12-19(2)13-17(20)18-11-16-5-4-10-22-16/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 78793510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).