N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide

C21H24N2O2 — CID 110300693

IUPACN,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
SMILESCN(C)C(=O)c1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-23(2)21(25)19-13-10-18(11-14-19)12-15-20(24)22-16-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-15H,6,9,16H2,1-2H3,(H,22,24)/b15-12+
InChIKeyASIDFXNTNFFYLZ-NTCAYCPXSA-N
MW336.44 g/mol
LogP3.15
Rot. Bonds7

About N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide

N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide (PubChem CID 110300693) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
PubChem CID110300693
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
SMILESCN(C)C(=O)c1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2/c1-23(2)21(25)19-13-10-18(11-14-19)12-15-20(24)22-16-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-15H,6,9,16H2,1-2H3,(H,22,24)/b15-12+
InChIKeyASIDFXNTNFFYLZ-NTCAYCPXSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.15
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'}

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300635
(E)-3-[4-[2-oxo-2-[4-[(E)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]acetyl]phenyl]prop-2-enoic acid
CID 10434059
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
(E)-N-[2-[benzyl(methyl)amino]ethyl]-3-phenylprop-2-enamide
CID 60569011
3-(2-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 3702491
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
methyl 4-[(E)-3-[[4-(dimethylcarbamoyl)phenyl]methylamino]-3-oxoprop-1-enyl]benzoate
CID 134052075

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide (CID 110300693) is N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide is CN(C)C(=O)c1ccc(/C=C/C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide?
The InChIKey is ASIDFXNTNFFYLZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-23(2)21(25)19-13-10-18(11-14-19)12-15-20(24)22-16-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-15H,6,9,16H2,1-2H3,(H,22,24)/b15-12+.
What are the key properties of N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide?
N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide is sourced from PubChem (CID 110300693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).