N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide

C20H24N2O4 — CID 46434205

IUPACN-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCCOc1ccc(CNC(=O)CNC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-4-26-17-10-9-15(11-18(17)25-3)12-21-19(23)13-22-20(24)16-8-6-5-7-14(16)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVHDNPIQFNRNBLQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.45
Rot. Bonds8

About N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide

N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 46434205) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
PubChem CID46434205
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCCOc1ccc(CNC(=O)CNC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-4-26-17-10-9-15(11-18(17)25-3)12-21-19(23)13-22-20(24)16-8-6-5-7-14(16)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVHDNPIQFNRNBLQ-UHFFFAOYSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46598045
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55912633
N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
CID 52693589
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide (CID 46434205) is N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide is CCOc1ccc(CNC(=O)CNC(=O)c2ccccc2C)cc1OC.
What is the InChIKey of N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is VHDNPIQFNRNBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-26-17-10-9-15(11-18(17)25-3)12-21-19(23)13-22-20(24)16-8-6-5-7-14(16)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 46434205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).