4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide

C18H24ClN3O4 — CID 110625338

IUPAC4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H24ClN3O4/c19-15-4-2-1-3-14(15)16(23)5-6-17(24)21-13-18(25)20-7-8-22-9-11-26-12-10-22/h1-4H,5-13H2,(H,20,25)(H,21,24)
InChIKeyKVWWUOLYBCPBQE-UHFFFAOYSA-N
MW381.86 g/mol
LogP0.87
Rot. Bonds9

About 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide

4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide (PubChem CID 110625338) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide
PubChem CID110625338
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H24ClN3O4/c19-15-4-2-1-3-14(15)16(23)5-6-17(24)21-13-18(25)20-7-8-22-9-11-26-12-10-22/h1-4H,5-13H2,(H,20,25)(H,21,24)
InChIKeyKVWWUOLYBCPBQE-UHFFFAOYSA-N
XLogP0.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46295281
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
4-(2-chlorophenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110425325

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide (CID 110625338) is 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccccc1Cl)NCC(=O)NCCN1CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide?
The InChIKey is KVWWUOLYBCPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c19-15-4-2-1-3-14(15)16(23)5-6-17(24)21-13-18(25)20-7-8-22-9-11-26-12-10-22/h1-4H,5-13H2,(H,20,25)(H,21,24).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide?
4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide has a molecular weight of 381.86 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide is sourced from PubChem (CID 110625338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).