N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C23H24N2O4 — CID 55834895

IUPACN-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)CCC(=O)c2ccc(OCCC)cc2)c1
InChIInChI=1S/C23H24N2O4/c1-3-14-29-20-10-8-18(9-11-20)21(26)12-13-22(27)24-16-23(28)25-19-7-5-6-17(4-2)15-19/h2,5-11,15H,3,12-14,16H2,1H3,(H,24,27)(H,25,28)
InChIKeyVJEOBGXLNOUHIV-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.17
Rot. Bonds10

About N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 55834895) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID55834895
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)CCC(=O)c2ccc(OCCC)cc2)c1
InChIInChI=1S/C23H24N2O4/c1-3-14-29-20-10-8-18(9-11-20)21(26)12-13-22(27)24-16-23(28)25-19-7-5-6-17(4-2)15-19/h2,5-11,15H,3,12-14,16H2,1H3,(H,24,27)(H,25,28)
InChIKeyVJEOBGXLNOUHIV-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 55836547
4-butoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835518
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
CID 55836397
N-[3-[[2-(3-ethynylanilino)-2-oxoethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 51090668
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 55834639
4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 33498608
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 55834895) is N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is C#Cc1cccc(NC(=O)CNC(=O)CCC(=O)c2ccc(OCCC)cc2)c1.
What is the InChIKey of N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is VJEOBGXLNOUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-14-29-20-10-8-18(9-11-20)21(26)12-13-22(27)24-16-23(28)25-19-7-5-6-17(4-2)15-19/h2,5-11,15H,3,12-14,16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 392.46 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55834895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).