N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

C19H29N3O3 — CID 51156382

IUPACN-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-5-21(18(24)19(2,3)4)14-17(23)20-15-6-8-16(9-7-15)22-10-12-25-13-11-22/h6-9H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyZDDJWBDROJUQDG-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide

N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (PubChem CID 51156382) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
PubChem CID51156382
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-5-21(18(24)19(2,3)4)14-17(23)20-15-6-8-16(9-7-15)22-10-12-25-13-11-22/h6-9H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyZDDJWBDROJUQDG-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-nitrobenzamide
CID 8960451
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51230349
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide (CID 51156382) is N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
The InChIKey is ZDDJWBDROJUQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-21(18(24)19(2,3)4)14-17(23)20-15-6-8-16(9-7-15)22-10-12-25-13-11-22/h6-9H,5,10-14H2,1-4H3,(H,20,23).
What are the key properties of N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide?
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 51156382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).