2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide

C22H36N4O3 — CID 55430711

IUPAC2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H36N4O3/c1-16(2)26(17(3)4)22(28)18(5)24(6)15-21(27)23-19-7-9-20(10-8-19)25-11-13-29-14-12-25/h7-10,16-18H,11-15H2,1-6H3,(H,23,27)
InChIKeyYSLZTMKVBPSNIE-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.43
Rot. Bonds8

About 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide (PubChem CID 55430711) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
PubChem CID55430711
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H36N4O3/c1-16(2)26(17(3)4)22(28)18(5)24(6)15-21(27)23-19-7-9-20(10-8-19)25-11-13-29-14-12-25/h7-10,16-18H,11-15H2,1-6H3,(H,23,27)
InChIKeyYSLZTMKVBPSNIE-UHFFFAOYSA-N
XLogP2.43
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592730
(2S)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592732
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592720
2-[[(1S)-1-cyanoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592711
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675
N-(2-cyanoethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 55439455
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide (CID 55430711) is 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide is CC(C(=O)N(C(C)C)C(C)C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide?
The InChIKey is YSLZTMKVBPSNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-16(2)26(17(3)4)22(28)18(5)24(6)15-21(27)23-19-7-9-20(10-8-19)25-11-13-29-14-12-25/h7-10,16-18H,11-15H2,1-6H3,(H,23,27).
What are the key properties of 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide?
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide has a molecular weight of 404.56 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 55430711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).