N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide

C17H25NO3 — CID 78773838

IUPACN-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC(C)CC)cc1
InChIInChI=1S/C17H25NO3/c1-4-12-21-15-8-6-14(7-9-15)16(19)10-11-17(20)18-13(3)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyRUQVAOYOWIEZEN-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.35
Rot. Bonds9

About N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide

N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 78773838) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID78773838
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC(C)CC)cc1
InChIInChI=1S/C17H25NO3/c1-4-12-21-15-8-6-14(7-9-15)16(19)10-11-17(20)18-13(3)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyRUQVAOYOWIEZEN-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]butanoic acid
CID 119348424
4-oxo-4-(4-propoxyphenyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41041234
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962113
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 55396046
N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55583981
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide (CID 78773838) is N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NC(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is RUQVAOYOWIEZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-12-21-15-8-6-14(7-9-15)16(19)10-11-17(20)18-13(3)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide?
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 291.39 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 78773838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).