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

C23H30N4O4 — CID 55351529

IUPACN-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N4O4/c1-17(23(29)25-20-6-4-5-7-21(20)30-3)26(2)16-22(28)24-18-8-10-19(11-9-18)27-12-14-31-15-13-27/h4-11,17H,12-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyWVJOIUQQDMSNCO-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.43
Rot. Bonds8

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

N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 55351529) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
PubChem CID55351529
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N4O4/c1-17(23(29)25-20-6-4-5-7-21(20)30-3)26(2)16-22(28)24-18-8-10-19(11-9-18)27-12-14-31-15-13-27/h4-11,17H,12-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyWVJOIUQQDMSNCO-UHFFFAOYSA-N
XLogP2.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351428
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46405645
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (CID 55351529) is N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is COc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is WVJOIUQQDMSNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17(23(29)25-20-6-4-5-7-21(20)30-3)26(2)16-22(28)24-18-8-10-19(11-9-18)27-12-14-31-15-13-27/h4-11,17H,12-16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 426.52 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 55351529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).