3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide

C16H23ClN2O2 — CID 94549604

IUPAC3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C16H23ClN2O2/c17-15-5-2-14(3-6-15)4-7-16(20)18-8-1-9-19-10-12-21-13-11-19/h2-3,5-6H,1,4,7-13H2,(H,18,20)
InChIKeyDPDSXECNOSUZHZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.11
Rot. Bonds7

About 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide

3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 94549604) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID94549604
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C16H23ClN2O2/c17-15-5-2-14(3-6-15)4-7-16(20)18-8-1-9-19-10-12-21-13-11-19/h2-3,5-6H,1,4,7-13H2,(H,18,20)
InChIKeyDPDSXECNOSUZHZ-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
3-[3-(4-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 135859553
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55656769
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
CID 88823559
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide (CID 94549604) is 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide is O=C(CCc1ccc(Cl)cc1)NCCCN1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is DPDSXECNOSUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-15-5-2-14(3-6-15)4-7-16(20)18-8-1-9-19-10-12-21-13-11-19/h2-3,5-6H,1,4,7-13H2,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide?
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 94549604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).