4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide

C24H24N2O7 — CID 27901919

IUPAC4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1
InChIInChI=1S/C24H24N2O7/c1-29-18-6-4-5-7-19(18)33-17-10-8-16(9-11-17)26-24(28)15-12-20(30-2)23(21(13-15)31-3)32-14-22(25)27/h4-13H,14H2,1-3H3,(H2,25,27)(H,26,28)
InChIKeyDVMMYPRUQTWEMJ-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.62
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide (PubChem CID 27901919) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
PubChem CID27901919
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1
InChIInChI=1S/C24H24N2O7/c1-29-18-6-4-5-7-19(18)33-17-10-8-16(9-11-17)26-24(28)15-12-20(30-2)23(21(13-15)31-3)32-14-22(25)27/h4-13H,14H2,1-3H3,(H2,25,27)(H,26,28)
InChIKeyDVMMYPRUQTWEMJ-UHFFFAOYSA-N
XLogP3.62
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9247227
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
CID 55840241
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 27110421
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55535206

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide (CID 27901919) is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide is COc1ccccc1Oc1ccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
The InChIKey is DVMMYPRUQTWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7/c1-29-18-6-4-5-7-19(18)33-17-10-8-16(9-11-17)26-24(28)15-12-20(30-2)23(21(13-15)31-3)32-14-22(25)27/h4-13H,14H2,1-3H3,(H2,25,27)(H,26,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide?
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide has a molecular weight of 452.46 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 27901919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).