4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide

C24H24N2O5 — CID 55429568

IUPAC4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H24N2O5/c1-29-20-13-18(14-21(30-2)23(20)31-16-22(25)27)24(28)26(19-11-7-4-8-12-19)15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H2,25,27)
InChIKeyWQGSUGCQCDIERE-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.41
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide

4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide (PubChem CID 55429568) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
PubChem CID55429568
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C24H24N2O5/c1-29-20-13-18(14-21(30-2)23(20)31-16-22(25)27)24(28)26(19-11-7-4-8-12-19)15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H2,25,27)
InChIKeyWQGSUGCQCDIERE-UHFFFAOYSA-N
XLogP3.41
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid
CID 119200187
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide (CID 55429568) is 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide is COc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide?
The InChIKey is WQGSUGCQCDIERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-20-13-18(14-21(30-2)23(20)31-16-22(25)27)24(28)26(19-11-7-4-8-12-19)15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H2,25,27).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide?
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide has a molecular weight of 420.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide is sourced from PubChem (CID 55429568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).