(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide

C14H22N2O3 — CID 75494674

IUPAC(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
SMILESCCOc1ccc(CN[C@H](C)C(=O)NC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-19-12-7-6-11(8-13(12)18-4)9-16-10(2)14(17)15-3/h6-8,10,16H,5,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyJALMKNWYBYPQJB-SNVBAGLBSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds7

About (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide (PubChem CID 75494674) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
PubChem CID75494674
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
SMILESCCOc1ccc(CN[C@H](C)C(=O)NC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-19-12-7-6-11(8-13(12)18-4)9-16-10(2)14(17)15-3/h6-8,10,16H,5,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyJALMKNWYBYPQJB-SNVBAGLBSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61057407
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331555
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide
CID 119106874
2-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoic acid
CID 82364722

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide (CID 75494674) is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide is CCOc1ccc(CN[C@H](C)C(=O)NC)cc1OC.
What is the InChIKey of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide?
The InChIKey is JALMKNWYBYPQJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-19-12-7-6-11(8-13(12)18-4)9-16-10(2)14(17)15-3/h6-8,10,16H,5,9H2,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide?
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 75494674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).