N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide

C13H20N2O4 — CID 171883166

IUPACN-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCOc1ccc(C(O)C(O)CCNC(C)=O)c(N)c1
InChIInChI=1S/C13H20N2O4/c1-8(16)15-6-5-12(17)13(18)10-4-3-9(19-2)7-11(10)14/h3-4,7,12-13,17-18H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyGGWOPVRFSQYPGT-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.20
Rot. Bonds6

About N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide

N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171883166) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171883166
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCOc1ccc(C(O)C(O)CCNC(C)=O)c(N)c1
InChIInChI=1S/C13H20N2O4/c1-8(16)15-6-5-12(17)13(18)10-4-3-9(19-2)7-11(10)14/h3-4,7,12-13,17-18H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyGGWOPVRFSQYPGT-UHFFFAOYSA-N
XLogP0.20
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetamido-1,2-dihydroxybutyl)-5-methoxybenzoic acid
CID 171883663
4-(4-acetamido-1,2-dihydroxybutyl)-3-aminobenzoic acid
CID 171883510
N-[3-(2-amino-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830174
3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868281
methyl 3-(4-acetamido-1,2-dihydroxybutyl)-2-aminobenzoate
CID 171883727
N-[4-(2-amino-5-propan-2-ylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883466
N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882686
2-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-methoxybenzoic acid
CID 171885455
tert-butyl N-[4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884542
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
2-[1,2-dihydroxy-4-(methylamino)butyl]-4-methoxybenzoic acid
CID 171890830
N-[3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831287

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide (CID 171883166) is N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide is COc1ccc(C(O)C(O)CCNC(C)=O)c(N)c1.
What is the InChIKey of N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is GGWOPVRFSQYPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(16)15-6-5-12(17)13(18)10-4-3-9(19-2)7-11(10)14/h3-4,7,12-13,17-18H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 268.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).