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

C14H22N2O4 — CID 43696167

IUPAC2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(N)C(C)C)cc1OCCO
InChIInChI=1S/C14H22N2O4/c1-9(2)13(15)14(18)16-10-4-5-11(19-3)12(8-10)20-7-6-17/h4-5,8-9,13,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyJJYGPKWVIAUSQT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.99
Rot. Bonds7

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

2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide (PubChem CID 43696167) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
PubChem CID43696167
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(N)C(C)C)cc1OCCO
InChIInChI=1S/C14H22N2O4/c1-9(2)13(15)14(18)16-10-4-5-11(19-3)12(8-10)20-7-6-17/h4-5,8-9,13,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyJJYGPKWVIAUSQT-UHFFFAOYSA-N
XLogP0.99
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide
CID 119278958
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide (CID 43696167) is 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide is COc1ccc(NC(=O)C(N)C(C)C)cc1OCCO.
What is the InChIKey of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
The InChIKey is JJYGPKWVIAUSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)13(15)14(18)16-10-4-5-11(19-3)12(8-10)20-7-6-17/h4-5,8-9,13,17H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide?
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide has a molecular weight of 282.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide is sourced from PubChem (CID 43696167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).