N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide

C15H21NO4 — CID 171883380

IUPACN-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide
SMILESCCC(=O)c1cccc(C(O)C(O)CCNC(C)=O)c1
InChIInChI=1S/C15H21NO4/c1-3-13(18)11-5-4-6-12(9-11)15(20)14(19)7-8-16-10(2)17/h4-6,9,14-15,19-20H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyWPZIKDXULZHIQZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.20
Rot. Bonds7

About N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide

N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide (PubChem CID 171883380) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide
PubChem CID171883380
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide
SMILESCCC(=O)c1cccc(C(O)C(O)CCNC(C)=O)c1
InChIInChI=1S/C15H21NO4/c1-3-13(18)11-5-4-6-12(9-11)15(20)14(19)7-8-16-10(2)17/h4-6,9,14-15,19-20H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyWPZIKDXULZHIQZ-UHFFFAOYSA-N
XLogP1.20
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]propan-1-one
CID 171874423
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[3,4-dihydroxy-4-[3-(sulfanylmethyl)phenyl]butyl]acetamide
CID 171882570
N-[4-(3-cyanophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882773
N-[4-[3-(2-aminoethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171883105
N-[3,4-dihydroxy-4-(3-nitrophenyl)butyl]acetamide
CID 171883148
tert-butyl N-[4-(3-acetylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884764
N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide
CID 171883824
N-[3,4-dihydroxy-4-[3-(trifluoromethylsulfanyl)phenyl]butyl]acetamide
CID 171883576
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625
4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
CID 171883542

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide (CID 171883380) is N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide is CCC(=O)c1cccc(C(O)C(O)CCNC(C)=O)c1.
What is the InChIKey of N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide?
The InChIKey is WPZIKDXULZHIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-13(18)11-5-4-6-12(9-11)15(20)14(19)7-8-16-10(2)17/h4-6,9,14-15,19-20H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide?
N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide is sourced from PubChem (CID 171883380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).