N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide

C16H25NO3 — CID 171883301

IUPACN-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-11(2)10-13-4-6-14(7-5-13)16(20)15(19)8-9-17-12(3)18/h4-7,11,15-16,19-20H,8-10H2,1-3H3,(H,17,18)
InChIKeyHQXVADCTGOMWMJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.81
Rot. Bonds7

About N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide

N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide (PubChem CID 171883301) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
PubChem CID171883301
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-11(2)10-13-4-6-14(7-5-13)16(20)15(19)8-9-17-12(3)18/h4-7,11,15-16,19-20H,8-10H2,1-3H3,(H,17,18)
InChIKeyHQXVADCTGOMWMJ-UHFFFAOYSA-N
XLogP1.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
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-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-(3-hydroxybutyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111428861
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

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide (CID 171883301) is N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide?
The InChIKey is HQXVADCTGOMWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)10-13-4-6-14(7-5-13)16(20)15(19)8-9-17-12(3)18/h4-7,11,15-16,19-20H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide?
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide is sourced from PubChem (CID 171883301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).