N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

C20H23N3O5 — CID 55775627

IUPACN-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1NC(C)=O
InChIInChI=1S/C20H23N3O5/c1-13(24)21-17-11-15(8-9-18(17)27-4)22-20(26)14-6-5-7-16(10-14)28-12-19(25)23(2)3/h5-11H,12H2,1-4H3,(H,21,24)(H,22,26)
InChIKeySXVGKMUVRUIFHW-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.37
Rot. Bonds7

About N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (PubChem CID 55775627) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
PubChem CID55775627
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1NC(C)=O
InChIInChI=1S/C20H23N3O5/c1-13(24)21-17-11-15(8-9-18(17)27-4)22-20(26)14-6-5-7-16(10-14)28-12-19(25)23(2)3/h5-11H,12H2,1-4H3,(H,21,24)(H,22,26)
InChIKeySXVGKMUVRUIFHW-UHFFFAOYSA-N
XLogP2.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55892925
2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide
CID 55791205
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (CID 55775627) is N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is COc1ccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The InChIKey is SXVGKMUVRUIFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-13(24)21-17-11-15(8-9-18(17)27-4)22-20(26)14-6-5-7-16(10-14)28-12-19(25)23(2)3/h5-11H,12H2,1-4H3,(H,21,24)(H,22,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide has a molecular weight of 385.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55775627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).