3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide

C13H20N2O3 — CID 55104746

IUPAC3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
SMILESCCOc1cc(NC(=O)C(C)CN)ccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-18-12-7-10(5-6-11(12)17-3)15-13(16)9(2)8-14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHWEGRBDXONXCNN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.63
Rot. Bonds6

About 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide

3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide (PubChem CID 55104746) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
PubChem CID55104746
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
SMILESCCOc1cc(NC(=O)C(C)CN)ccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-18-12-7-10(5-6-11(12)17-3)15-13(16)9(2)8-14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHWEGRBDXONXCNN-UHFFFAOYSA-N
XLogP1.63
TPSA73.58 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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468
N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853227
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide (CID 55104746) is 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide is CCOc1cc(NC(=O)C(C)CN)ccc1OC.
What is the InChIKey of 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is HWEGRBDXONXCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-12-7-10(5-6-11(12)17-3)15-13(16)9(2)8-14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide?
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 55104746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).