2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide

C13H19ClN2O3 — CID 120990898

IUPAC2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(OC)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-18-8-11(15)13(17)16-7-12(19-2)9-3-5-10(14)6-4-9/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyIOEHJQITCCCTJG-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.12
Rot. Bonds7

About 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide

2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide (PubChem CID 120990898) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
PubChem CID120990898
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(OC)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-18-8-11(15)13(17)16-7-12(19-2)9-3-5-10(14)6-4-9/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyIOEHJQITCCCTJG-UHFFFAOYSA-N
XLogP1.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate
CID 120989334
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999
1-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334765
N-[2-(4-chlorophenyl)-2-methoxyethyl]-2-(2-hydroxyphenyl)-2-methoxyacetamide
CID 167815021
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
CID 95967673
2-(aminomethyl)-N-[2-(4-chlorophenyl)-2-methoxyethyl]-1,3-thiazole-4-carboxamide
CID 119803141
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide (CID 120990898) is 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide is COCC(N)C(=O)NCC(OC)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide?
The InChIKey is IOEHJQITCCCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-8-11(15)13(17)16-7-12(19-2)9-3-5-10(14)6-4-9/h3-6,11-12H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide?
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide has a molecular weight of 286.76 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide is sourced from PubChem (CID 120990898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).