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

C27H30N4O5 — CID 70259622

IUPAC2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1
InChIInChI=1S/C27H30N4O5/c1-29(20-10-5-4-6-11-20)26(33)18-31(25(32)17-28)23-14-7-8-15-24(23)36-19-27(34)30(2)21-12-9-13-22(16-21)35-3/h4-16H,17-19,28H2,1-3H3
InChIKeyMQKCASPNEKMAKE-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.69
Rot. Bonds10

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

2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide (PubChem CID 70259622) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
PubChem CID70259622
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1
InChIInChI=1S/C27H30N4O5/c1-29(20-10-5-4-6-11-20)26(33)18-31(25(32)17-28)23-14-7-8-15-24(23)36-19-27(34)30(2)21-12-9-13-22(16-21)35-3/h4-16H,17-19,28H2,1-3H3
InChIKeyMQKCASPNEKMAKE-UHFFFAOYSA-N
XLogP2.69
TPSA105.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70260618
2-amino-N-[3-[2-(3-cyano-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide
CID 70260072
2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate
CID 70256637
tert-butyl N-[2-[2-[2-(3-bromo-N-methylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate
CID 70259552
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
2-[3-[[2-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]-N-(3-methylbutyl)anilino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
CID 70256547
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107733334
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
methyl 2-[3-[[[2-[3-[2-(2-methoxy-N-methylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetate
CID 139763580

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide (CID 70259622) is 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide is COc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is MQKCASPNEKMAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-29(20-10-5-4-6-11-20)26(33)18-31(25(32)17-28)23-14-7-8-15-24(23)36-19-27(34)30(2)21-12-9-13-22(16-21)35-3/h4-16H,17-19,28H2,1-3H3.
What are the key properties of 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 70259622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).