N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide

C20H31N3O3 — CID 51156379

IUPACN-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)C
InChIInChI=1S/C20H31N3O3/c1-4-22(20(25)10-5-16(2)3)15-19(24)21-17-6-8-18(9-7-17)23-11-13-26-14-12-23/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyURVQQCVBUKNKMC-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.75
Rot. Bonds8

About N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide

N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide (PubChem CID 51156379) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
PubChem CID51156379
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)C
InChIInChI=1S/C20H31N3O3/c1-4-22(20(25)10-5-16(2)3)15-19(24)21-17-6-8-18(9-7-17)23-11-13-26-14-12-23/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyURVQQCVBUKNKMC-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.75
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-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 43008615
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
(2S)-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-prop-2-enoxypropanamide
CID 52520902
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55369929
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8960478

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide?
The IUPAC name of N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide (CID 51156379) is N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)C.
What is the InChIKey of N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide?
The InChIKey is URVQQCVBUKNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-22(20(25)10-5-16(2)3)15-19(24)21-17-6-8-18(9-7-17)23-11-13-26-14-12-23/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,24).
What are the key properties of N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide?
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide has a molecular weight of 361.49 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 51156379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).