4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide

C18H26N2O4 — CID 8733342

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H26N2O4/c1-4-12-19-18(23)13(3)20-17(22)11-10-16(21)14-6-8-15(9-7-14)24-5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyCDZXUVPRQBANTL-CYBMUJFWSA-N
MW334.42 g/mol
LogP2.08
Rot. Bonds10

About 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide

4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide (PubChem CID 8733342) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
PubChem CID8733342
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H26N2O4/c1-4-12-19-18(23)13(3)20-17(22)11-10-16(21)14-6-8-15(9-7-14)24-5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyCDZXUVPRQBANTL-CYBMUJFWSA-N
XLogP2.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide with MolForge

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Related Compounds

4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892113
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114
(2R)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119363891
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 37019385
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 9470610
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9477089

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide (CID 8733342) is 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide is CCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide?
The InChIKey is CDZXUVPRQBANTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-12-19-18(23)13(3)20-17(22)11-10-16(21)14-6-8-15(9-7-14)24-5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide is sourced from PubChem (CID 8733342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).