4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide

C15H21N3O3 — CID 83104137

IUPAC4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
SMILESCCNc1ccccc1C(=O)N1CCOCC1C(=O)NC
InChIInChI=1S/C15H21N3O3/c1-3-17-12-7-5-4-6-11(12)15(20)18-8-9-21-10-13(18)14(19)16-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyJTVHTOKSPJWCPX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.71
Rot. Bonds4

About 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide

4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83104137) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
PubChem CID83104137
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
SMILESCCNc1ccccc1C(=O)N1CCOCC1C(=O)NC
InChIInChI=1S/C15H21N3O3/c1-3-17-12-7-5-4-6-11(12)15(20)18-8-9-21-10-13(18)14(19)16-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyJTVHTOKSPJWCPX-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
4-(2-amino-3-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099510
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(2-fluoro-5-sulfanylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 107034027
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide (CID 83104137) is 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide is CCNc1ccccc1C(=O)N1CCOCC1C(=O)NC.
What is the InChIKey of 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is JTVHTOKSPJWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-17-12-7-5-4-6-11(12)15(20)18-8-9-21-10-13(18)14(19)16-2/h4-7,13,17H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide?
4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83104137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).