N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide

C14H21NO3 — CID 171882600

IUPACN-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCCc1ccc(C(O)C(O)CCNC(C)=O)cc1
InChIInChI=1S/C14H21NO3/c1-3-11-4-6-12(7-5-11)14(18)13(17)8-9-15-10(2)16/h4-7,13-14,17-18H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyCIWQLKYJZMHBIG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.17
Rot. Bonds6

About N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide

N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882600) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882600
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCCc1ccc(C(O)C(O)CCNC(C)=O)cc1
InChIInChI=1S/C14H21NO3/c1-3-11-4-6-12(7-5-11)14(18)13(17)8-9-15-10(2)16/h4-7,13-14,17-18H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyCIWQLKYJZMHBIG-UHFFFAOYSA-N
XLogP1.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
CID 171882991
4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
CID 171883542
4-(4-acetamido-1,2-dihydroxybutyl)benzenesulfonyl fluoride
CID 171883365
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
ethyl 4-[4-(4-acetamido-1,2-dihydroxybutyl)phenyl]-4-oxobutanoate
CID 171884080
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide (CID 171882600) is N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide is CCc1ccc(C(O)C(O)CCNC(C)=O)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is CIWQLKYJZMHBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-11-4-6-12(7-5-11)14(18)13(17)8-9-15-10(2)16/h4-7,13-14,17-18H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).