4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide

C18H26N2O3 — CID 9300683

IUPAC4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-4-5-14-6-8-15(9-7-14)16(21)10-11-17(22)19-12-18(23)20-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyJMXNPNCXKKZACP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds9

About 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide

4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide (PubChem CID 9300683) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
PubChem CID9300683
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-4-5-14-6-8-15(9-7-14)16(21)10-11-17(22)19-12-18(23)20-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyJMXNPNCXKKZACP-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 27718932
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 85020010
4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide
CID 78780258
3-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 120687518

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide?
The IUPAC name of 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide (CID 9300683) is 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide?
The canonical SMILES for 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)NCC(=O)NC(C)C)cc1.
What is the InChIKey of 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide?
The InChIKey is JMXNPNCXKKZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-5-14-6-8-15(9-7-14)16(21)10-11-17(22)19-12-18(23)20-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide?
4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 9300683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).