2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide

C20H30N2O4 — CID 51952595

IUPAC2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C20H30N2O4/c1-2-24-19-10-4-3-9-18(19)21-20(23)15-22(13-16-7-5-11-25-16)14-17-8-6-12-26-17/h3-4,9-10,16-17H,2,5-8,11-15H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyGDJAMGPVIBONEW-IRXDYDNUSA-N
MW362.47 g/mol
LogP2.68
Rot. Bonds9

About 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide

2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 51952595) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
PubChem CID51952595
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C20H30N2O4/c1-2-24-19-10-4-3-9-18(19)21-20(23)15-22(13-16-7-5-11-25-16)14-17-8-6-12-26-17/h3-4,9-10,16-17H,2,5-8,11-15H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyGDJAMGPVIBONEW-IRXDYDNUSA-N
XLogP2.68
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide
CID 47056113
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733265
3-(2-ethoxyphenyl)-1-(oxolan-2-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 4053042

Frequently Asked Questions

What is the IUPAC name of 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide (CID 51952595) is 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1.
What is the InChIKey of 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is GDJAMGPVIBONEW-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-2-24-19-10-4-3-9-18(19)21-20(23)15-22(13-16-7-5-11-25-16)14-17-8-6-12-26-17/h3-4,9-10,16-17H,2,5-8,11-15H2,1H3,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide?
2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 51952595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).