4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide

C27H29N3O6 — CID 55891532

IUPAC4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O6/c1-4-30(21-8-6-5-7-9-21)25(32)14-18-10-12-20(13-11-18)29-27(33)19-15-22(34-2)26(23(16-19)35-3)36-17-24(28)31/h5-13,15-16H,4,14,17H2,1-3H3,(H2,28,31)(H,29,33)
InChIKeyVQBPCKIZTUBKBL-UHFFFAOYSA-N
MW491.54 g/mol
LogP3.42
Rot. Bonds11

About 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide (PubChem CID 55891532) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
PubChem CID55891532
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1)c1ccccc1
InChIInChI=1S/C27H29N3O6/c1-4-30(21-8-6-5-7-9-21)25(32)14-18-10-12-20(13-11-18)29-27(33)19-15-22(34-2)26(23(16-19)35-3)36-17-24(28)31/h5-13,15-16H,4,14,17H2,1-3H3,(H2,28,31)(H,29,33)
InChIKeyVQBPCKIZTUBKBL-UHFFFAOYSA-N
XLogP3.42
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
CID 55429568
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9247227
2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide
CID 55817645
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 55891149
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55535206
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4940863
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide (CID 55891532) is 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide is CCN(C(=O)Cc1ccc(NC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is VQBPCKIZTUBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-4-30(21-8-6-5-7-9-21)25(32)14-18-10-12-20(13-11-18)29-27(33)19-15-22(34-2)26(23(16-19)35-3)36-17-24(28)31/h5-13,15-16H,4,14,17H2,1-3H3,(H2,28,31)(H,29,33).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 491.54 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55891532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).