3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide

C17H27N3O3 — CID 120830987

IUPAC3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
SMILESCCOc1ccccc1C(CC(=O)NCC(C)NC)NC(C)=O
InChIInChI=1S/C17H27N3O3/c1-5-23-16-9-7-6-8-14(16)15(20-13(3)21)10-17(22)19-11-12(2)18-4/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyGICBNRFQUGNPSX-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.38
Rot. Bonds9

About 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide

3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide (PubChem CID 120830987) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
PubChem CID120830987
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
SMILESCCOc1ccccc1C(CC(=O)NCC(C)NC)NC(C)=O
InChIInChI=1S/C17H27N3O3/c1-5-23-16-9-7-6-8-14(16)15(20-13(3)21)10-17(22)19-11-12(2)18-4/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyGICBNRFQUGNPSX-UHFFFAOYSA-N
XLogP1.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
(3S)-3-acetamido-N-[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]-3-(2-ethoxyphenyl)propanamide
CID 100739355
3-acetamido-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446350
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
4-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119204666
3-acetamido-3-(2-ethoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119392017
3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119654044
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-ethoxyphenyl)propanamide
CID 119456660

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide (CID 120830987) is 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide is CCOc1ccccc1C(CC(=O)NCC(C)NC)NC(C)=O.
What is the InChIKey of 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
The InChIKey is GICBNRFQUGNPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-23-16-9-7-6-8-14(16)15(20-13(3)21)10-17(22)19-11-12(2)18-4/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide has a molecular weight of 321.42 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120830987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).