4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide

C13H20N2O3 — CID 107735030

IUPAC4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
SMILESCCN(C(=O)CC(CN)OC)c1cccc(O)c1
InChIInChI=1S/C13H20N2O3/c1-3-15(10-5-4-6-11(16)7-10)13(17)8-12(9-14)18-2/h4-7,12,16H,3,8-9,14H2,1-2H3
InChIKeyBMCXOBFCUBVJSA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.11
Rot. Bonds6

About 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide

4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide (PubChem CID 107735030) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
PubChem CID107735030
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
SMILESCCN(C(=O)CC(CN)OC)c1cccc(O)c1
InChIInChI=1S/C13H20N2O3/c1-3-15(10-5-4-6-11(16)7-10)13(17)8-12(9-14)18-2/h4-7,12,16H,3,8-9,14H2,1-2H3
InChIKeyBMCXOBFCUBVJSA-UHFFFAOYSA-N
XLogP1.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734931
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
CID 103154156
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
CID 107734150
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
CID 107734933

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide (CID 107735030) is 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide is CCN(C(=O)CC(CN)OC)c1cccc(O)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide?
The InChIKey is BMCXOBFCUBVJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-15(10-5-4-6-11(16)7-10)13(17)8-12(9-14)18-2/h4-7,12,16H,3,8-9,14H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide?
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide has a molecular weight of 252.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide is sourced from PubChem (CID 107735030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).