3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

C18H26ClN3O3 — CID 113119422

IUPAC3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCN1CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C18H26ClN3O3/c1-15(23)22(14-16-4-2-3-5-17(16)19)8-6-18(24)20-7-9-21-10-12-25-13-11-21/h2-5H,6-14H2,1H3,(H,20,24)
InChIKeyZACBRNMJPMXXPD-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.53
Rot. Bonds8

About 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 113119422) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID113119422
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCN1CCOCC1)Cc1ccccc1Cl
InChIInChI=1S/C18H26ClN3O3/c1-15(23)22(14-16-4-2-3-5-17(16)19)8-6-18(24)20-7-9-21-10-12-25-13-11-21/h2-5H,6-14H2,1H3,(H,20,24)
InChIKeyZACBRNMJPMXXPD-UHFFFAOYSA-N
XLogP1.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113128713
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 100563046
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2-chlorobenzamide
CID 113053679
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113164494
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 15994320
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide (CID 113119422) is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is CC(=O)N(CCC(=O)NCCN1CCOCC1)Cc1ccccc1Cl.
What is the InChIKey of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is ZACBRNMJPMXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-15(23)22(14-16-4-2-3-5-17(16)19)8-6-18(24)20-7-9-21-10-12-25-13-11-21/h2-5H,6-14H2,1H3,(H,20,24).
What are the key properties of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide?
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 367.88 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 113119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).