N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

C22H28N4O4 — CID 4965762

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C22H28N4O4/c1-25(15-21(27)23-17-6-5-7-18(14-17)29-2)16-22(28)24-19-8-3-4-9-20(19)26-10-12-30-13-11-26/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFHQYKKPHQLVGTF-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.04
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 4965762) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
PubChem CID4965762
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C22H28N4O4/c1-25(15-21(27)23-17-6-5-7-18(14-17)29-2)16-22(28)24-19-8-3-4-9-20(19)26-10-12-30-13-11-26/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFHQYKKPHQLVGTF-UHFFFAOYSA-N
XLogP2.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
3-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109039568
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
2-[acetyl(propan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158255
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
2-(3-chloro-2-morpholin-4-ylanilino)-N-(3-methoxyphenyl)acetamide
CID 39998814

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (CID 4965762) is N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is FHQYKKPHQLVGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-25(15-21(27)23-17-6-5-7-18(14-17)29-2)16-22(28)24-19-8-3-4-9-20(19)26-10-12-30-13-11-26/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 412.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 4965762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).