3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide

C13H20N2O4 — CID 60837190

IUPAC3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CC(C)N)cc1OCCO
InChIInChI=1S/C13H20N2O4/c1-9(14)7-13(17)15-10-3-4-11(18-2)12(8-10)19-6-5-16/h3-4,8-9,16H,5-7,14H2,1-2H3,(H,15,17)
InChIKeyWEQFNMIBQPAXIW-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.74
Rot. Bonds7

About 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide

3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide (PubChem CID 60837190) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
PubChem CID60837190
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CC(C)N)cc1OCCO
InChIInChI=1S/C13H20N2O4/c1-9(14)7-13(17)15-10-3-4-11(18-2)12(8-10)19-6-5-16/h3-4,8-9,16H,5-7,14H2,1-2H3,(H,15,17)
InChIKeyWEQFNMIBQPAXIW-UHFFFAOYSA-N
XLogP0.74
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
3-[3-(2-hydroxyethoxy)-4-methoxyanilino]-3-oxopropanoic acid
CID 55049598
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
(E)-4-[3-(2-hydroxyethoxy)-4-methoxyanilino]-4-oxobut-2-enoic acid
CID 60941052
3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
CID 63678845

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide (CID 60837190) is 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide is COc1ccc(NC(=O)CC(C)N)cc1OCCO.
What is the InChIKey of 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide?
The InChIKey is WEQFNMIBQPAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(14)7-13(17)15-10-3-4-11(18-2)12(8-10)19-6-5-16/h3-4,8-9,16H,5-7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide?
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide has a molecular weight of 268.31 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide is sourced from PubChem (CID 60837190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).