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

C20H26N2O3 — CID 851541

IUPACN-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide
SMILESCCOc1cccc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)c1
InChIInChI=1S/C20H26N2O3/c1-5-25-17-8-6-7-15(11-17)13-21-16-9-10-18(19(12-16)24-4)22-20(23)14(2)3/h6-12,14,21H,5,13H2,1-4H3,(H,22,23)
InChIKeyFXAVGNKFDFGTKH-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.30
Rot. Bonds8

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

N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide (PubChem CID 851541) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide
PubChem CID851541
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide
SMILESCCOc1cccc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)c1
InChIInChI=1S/C20H26N2O3/c1-5-25-17-8-6-7-15(11-17)13-21-16-9-10-18(19(12-16)24-4)22-20(23)14(2)3/h6-12,14,21H,5,13H2,1-4H3,(H,22,23)
InChIKeyFXAVGNKFDFGTKH-UHFFFAOYSA-N
XLogP4.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874084
N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 78885123
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 19644382
3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide (CID 851541) is N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide is CCOc1cccc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)c1.
What is the InChIKey of N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide?
The InChIKey is FXAVGNKFDFGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-25-17-8-6-7-15(11-17)13-21-16-9-10-18(19(12-16)24-4)22-20(23)14(2)3/h6-12,14,21H,5,13H2,1-4H3,(H,22,23).
What are the key properties of N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide?
N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 851541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).