N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide

C17H24N2O — CID 88603250

IUPACN-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(=CC=Cc1ccccc1)C(=O)NCCCN(C)C
InChIInChI=1S/C17H24N2O/c1-15(17(20)18-13-8-14-19(2)3)9-7-12-16-10-5-4-6-11-16/h4-7,9-12H,8,13-14H2,1-3H3,(H,18,20)
InChIKeyZNBIJSOVKMADLN-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide

N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide (PubChem CID 88603250) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide
PubChem CID88603250
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(=CC=Cc1ccccc1)C(=O)NCCCN(C)C
InChIInChI=1S/C17H24N2O/c1-15(17(20)18-13-8-14-19(2)3)9-7-12-16-10-5-4-6-11-16/h4-7,9-12H,8,13-14H2,1-3H3,(H,18,20)
InChIKeyZNBIJSOVKMADLN-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[[(2E,4E)-2-methyl-5-phenylpenta-2,4-dienoyl]amino]hexanoate
CID 57495388
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
ethane-1,2-diol;bis(2-methyl-5-phenylpenta-2,4-dienoic acid)
CID 173388438
(2E,4E)-N-(2-hydroxyethyl)-5-phenyl-2-propan-2-ylpenta-2,4-dienamide
CID 11299927
3-methyl-10-phenyldeca-3,5,7,9-tetraen-2-one
CID 71404219
N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
CID 6808043
S-(2-acetamidoethyl) 2-methyl-5-phenylpenta-2,4-dienethioate
CID 123315524
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide (CID 88603250) is N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide is CC(=CC=Cc1ccccc1)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide?
The InChIKey is ZNBIJSOVKMADLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-15(17(20)18-13-8-14-19(2)3)9-7-12-16-10-5-4-6-11-16/h4-7,9-12H,8,13-14H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide?
N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide has a molecular weight of 272.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methyl-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 88603250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).