N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide

C14H20N2O — CID 113288141

IUPACN,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
SMILESC=C(CNCCC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(13-7-5-4-6-8-13)11-15-10-9-14(17)16(2)3/h4-8,15H,1,9-11H2,2-3H3
InChIKeyITPQGMUYKDXZEV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.77
Rot. Bonds6

About N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide

N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide (PubChem CID 113288141) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
PubChem CID113288141
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
SMILESC=C(CNCCC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(13-7-5-4-6-8-13)11-15-10-9-14(17)16(2)3/h4-8,15H,1,9-11H2,2-3H3
InChIKeyITPQGMUYKDXZEV-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145
N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
CID 54886707
3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
CID 62375011
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
3-anilino-N,N-dimethylpropanamide
CID 60961994
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
1-(dimethylamino)-2-methyl-3-(2-phenylprop-2-enylamino)propan-2-ol
CID 106147571

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide (CID 113288141) is N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide is C=C(CNCCC(=O)N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide?
The InChIKey is ITPQGMUYKDXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(13-7-5-4-6-8-13)11-15-10-9-14(17)16(2)3/h4-8,15H,1,9-11H2,2-3H3.
What are the key properties of N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide?
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide has a molecular weight of 232.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide is sourced from PubChem (CID 113288141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).