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

C27H30N4O4 — CID 70260618

IUPAC2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
SMILESCc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1
InChIInChI=1S/C27H30N4O4/c1-20-10-9-13-22(16-20)30(3)27(34)19-35-24-15-8-7-14-23(24)31(25(32)17-28)18-26(33)29(2)21-11-5-4-6-12-21/h4-16H,17-19,28H2,1-3H3
InChIKeyAEAYSRBOIPJBCC-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.99
Rot. Bonds9

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

2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide (PubChem CID 70260618) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
PubChem CID70260618
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
SMILESCc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1
InChIInChI=1S/C27H30N4O4/c1-20-10-9-13-22(16-20)30(3)27(34)19-35-24-15-8-7-14-23(24)31(25(32)17-28)18-26(33)29(2)21-11-5-4-6-12-21/h4-16H,17-19,28H2,1-3H3
InChIKeyAEAYSRBOIPJBCC-UHFFFAOYSA-N
XLogP2.99
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70259622
tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate
CID 70256637
2-(2-aminophenoxy)-N-methyl-N-(3-methylphenyl)acetamide
CID 62003692
tert-butyl 2-[3-[[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamoylamino]phenyl]propanoate
CID 174377270
tert-butyl N-[2-[2-[2-(3-bromo-N-methylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate
CID 70259552
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70260072
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107733334
2-[3-[[2-[2-[2-(N,2-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
CID 70256527
2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide (CID 70260618) is 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide is Cc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is AEAYSRBOIPJBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-20-10-9-13-22(16-20)30(3)27(34)19-35-24-15-8-7-14-23(24)31(25(32)17-28)18-26(33)29(2)21-11-5-4-6-12-21/h4-16H,17-19,28H2,1-3H3.
What are the key properties of 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 474.56 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 70260618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).