2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide

C20H29N3O4 — CID 56886220

IUPAC2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide
SMILESCN(C)c1ccccc1C(=O)N1CCOCC1CC(=O)NC1CCOCC1
InChIInChI=1S/C20H29N3O4/c1-22(2)18-6-4-3-5-17(18)20(25)23-9-12-27-14-16(23)13-19(24)21-15-7-10-26-11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,21,24)
InChIKeyWZAWMLPTKOWLHZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide

2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide (PubChem CID 56886220) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide
PubChem CID56886220
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide
SMILESCN(C)c1ccccc1C(=O)N1CCOCC1CC(=O)NC1CCOCC1
InChIInChI=1S/C20H29N3O4/c1-22(2)18-6-4-3-5-17(18)20(25)23-9-12-27-14-16(23)13-19(24)21-15-7-10-26-11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,21,24)
InChIKeyWZAWMLPTKOWLHZ-UHFFFAOYSA-N
XLogP1.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
N-cyclopropyl-2-[(3S)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide
CID 95870461
N-cyclopropyl-2-[4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetamide
CID 56895514
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
CID 95877128
2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide
CID 95889150
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
N-cyclopentyl-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156357
2-[4-(2-ethoxypyridine-3-carbonyl)morpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 56890708
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
CID 113132150
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide (CID 56886220) is 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide is CN(C)c1ccccc1C(=O)N1CCOCC1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is WZAWMLPTKOWLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-22(2)18-6-4-3-5-17(18)20(25)23-9-12-27-14-16(23)13-19(24)21-15-7-10-26-11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide?
2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)benzoyl]morpholin-3-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 56886220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).