N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide

C25H30N2O4 — CID 55583981

IUPACN-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C25H30N2O4/c1-3-16-31-22-12-8-19(9-13-22)23(28)14-15-24(29)26-17(2)18-6-10-21(11-7-18)27-25(30)20-4-5-20/h6-13,17,20H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySRIDQYAUPQWJKO-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.66
Rot. Bonds11

About N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55583981) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55583981
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C25H30N2O4/c1-3-16-31-22-12-8-19(9-13-22)23(28)14-15-24(29)26-17(2)18-6-10-21(11-7-18)27-25(30)20-4-5-20/h6-13,17,20H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySRIDQYAUPQWJKO-UHFFFAOYSA-N
XLogP4.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41041234
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
methyl 5-[[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]amino]-5-oxopentanoate
CID 97347644
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962113
3-methyl-2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]butanoic acid
CID 119348424
4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 55396046
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55509603
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
CID 55527756

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 55583981) is N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide is CCCOc1ccc(C(=O)CCC(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is SRIDQYAUPQWJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-3-16-31-22-12-8-19(9-13-22)23(28)14-15-24(29)26-17(2)18-6-10-21(11-7-18)27-25(30)20-4-5-20/h6-13,17,20H,3-5,14-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55583981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).