2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide

C27H27N5O4 — CID 70260072

IUPAC2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
SMILESCN(C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1)c1cccc(C#N)c1
InChIInChI=1S/C27H27N5O4/c1-30(21-9-4-3-5-10-21)26(34)18-32(25(33)17-29)23-12-7-13-24(15-23)36-19-27(35)31(2)22-11-6-8-20(14-22)16-28/h3-15H,17-19,29H2,1-2H3
InChIKeyYGKZYUQCCDQUEA-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.55
Rot. Bonds9

About 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide

2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide (PubChem CID 70260072) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
PubChem CID70260072
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
SMILESCN(C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1)c1cccc(C#N)c1
InChIInChI=1S/C27H27N5O4/c1-30(21-9-4-3-5-10-21)26(34)18-32(25(33)17-29)23-12-7-13-24(15-23)36-19-27(35)31(2)22-11-6-8-20(14-22)16-28/h3-15H,17-19,29H2,1-2H3
InChIKeyYGKZYUQCCDQUEA-UHFFFAOYSA-N
XLogP2.55
TPSA119.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70259622
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70260618
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
N-(3-carbamothioylphenyl)-N-methyl-2-phenoxyacetamide
CID 62971504
methyl 3-[2-(N-amino-3-cyanoanilino)-2-oxoethoxy]benzoate
CID 118227640
N-[3-[2-(3-hydroxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 10698959

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide (CID 70260072) is 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide is CN(C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1)c1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is YGKZYUQCCDQUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-30(21-9-4-3-5-10-21)26(34)18-32(25(33)17-29)23-12-7-13-24(15-23)36-19-27(35)31(2)22-11-6-8-20(14-22)16-28/h3-15H,17-19,29H2,1-2H3.
What are the key properties of 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 70260072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).