N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide

C15H24N2O3 — CID 171883466

IUPACN-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc(C(C)C)ccc1N
InChIInChI=1S/C15H24N2O3/c1-9(2)11-4-5-13(16)12(8-11)15(20)14(19)6-7-17-10(3)18/h4-5,8-9,14-15,19-20H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyJXOYBRNFIIBCKL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.31
Rot. Bonds6

About N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide

N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171883466) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171883466
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc(C(C)C)ccc1N
InChIInChI=1S/C15H24N2O3/c1-9(2)11-4-5-13(16)12(8-11)15(20)14(19)6-7-17-10(3)18/h4-5,8-9,14-15,19-20H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyJXOYBRNFIIBCKL-UHFFFAOYSA-N
XLogP1.31
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-propan-2-ylphenyl)butane-1,2,4-triol
CID 171872717
N-[4-(3-amino-4-chlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882761
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
4-(4-acetamido-1,2-dihydroxybutyl)-3-aminobenzoic acid
CID 171883510
N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883166
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
ethyl 3-(2-amino-5-propan-2-ylphenyl)-2,3-dihydroxypropanoate
CID 171866516
N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882686
N-[4-(6-amino-4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882698
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide (CID 171883466) is N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1cc(C(C)C)ccc1N.
What is the InChIKey of N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is JXOYBRNFIIBCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(2)11-4-5-13(16)12(8-11)15(20)14(19)6-7-17-10(3)18/h4-5,8-9,14-15,19-20H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).