3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide

C18H26ClN3O4 — CID 113117750

IUPAC3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1Cl
InChIInChI=1S/C18H26ClN3O4/c1-14(23)22(8-7-21-9-11-26-12-10-21)6-5-18(24)20-15-3-4-17(25-2)16(19)13-15/h3-4,13H,5-12H2,1-2H3,(H,20,24)
InChIKeyJBRXYHXRBBBCLU-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.86
Rot. Bonds8

About 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 113117750) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID113117750
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1Cl
InChIInChI=1S/C18H26ClN3O4/c1-14(23)22(8-7-21-9-11-26-12-10-21)6-5-18(24)20-15-3-4-17(25-2)16(19)13-15/h3-4,13H,5-12H2,1-2H3,(H,20,24)
InChIKeyJBRXYHXRBBBCLU-UHFFFAOYSA-N
XLogP1.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117763
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113117729
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113121161
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113122543
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133907
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide (CID 113117750) is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1Cl.
What is the InChIKey of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is JBRXYHXRBBBCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4/c1-14(23)22(8-7-21-9-11-26-12-10-21)6-5-18(24)20-15-3-4-17(25-2)16(19)13-15/h3-4,13H,5-12H2,1-2H3,(H,20,24).
What are the key properties of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide?
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 383.88 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 113117750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).