3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide

C19H31N3O2 — CID 110441108

IUPAC3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
SMILESCN(C)c1ccc(CCC(=O)NCCCCN2CCOCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-21(2)18-8-5-17(6-9-18)7-10-19(23)20-11-3-4-12-22-13-15-24-16-14-22/h5-6,8-9H,3-4,7,10-16H2,1-2H3,(H,20,23)
InChIKeyMYNFBJRIFUIGMA-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.91
Rot. Bonds9

About 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide

3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide (PubChem CID 110441108) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
PubChem CID110441108
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
SMILESCN(C)c1ccc(CCC(=O)NCCCCN2CCOCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-21(2)18-8-5-17(6-9-18)7-10-19(23)20-11-3-4-12-22-13-15-24-16-14-22/h5-6,8-9H,3-4,7,10-16H2,1-2H3,(H,20,23)
InChIKeyMYNFBJRIFUIGMA-UHFFFAOYSA-N
XLogP1.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55656769
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
3-[2-(diethylamino)-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 53186109
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide (CID 110441108) is 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide is CN(C)c1ccc(CCC(=O)NCCCCN2CCOCC2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide?
The InChIKey is MYNFBJRIFUIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-21(2)18-8-5-17(6-9-18)7-10-19(23)20-11-3-4-12-22-13-15-24-16-14-22/h5-6,8-9H,3-4,7,10-16H2,1-2H3,(H,20,23).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide?
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide is sourced from PubChem (CID 110441108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).