N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide

C15H22N2O2 — CID 43573850

IUPACN,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccc(CNC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-5-10-19-14-8-6-13(7-9-14)11-16-12(2)15(18)17(3)4/h5-9,12,16H,1,10-11H2,2-4H3
InChIKeySMFCPIRSDJPTDT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds7

About N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide

N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide (PubChem CID 43573850) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
PubChem CID43573850
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccc(CNC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-5-10-19-14-8-6-13(7-9-14)11-16-12(2)15(18)17(3)4/h5-9,12,16H,1,10-11H2,2-4H3
InChIKeySMFCPIRSDJPTDT-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 43573860
2-[(4-prop-2-enoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615290
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223960
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43778128
(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28623629
N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
CID 115621888
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide (CID 43573850) is N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide is C=CCOc1ccc(CNC(C)C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide?
The InChIKey is SMFCPIRSDJPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10-19-14-8-6-13(7-9-14)11-16-12(2)15(18)17(3)4/h5-9,12,16H,1,10-11H2,2-4H3.
What are the key properties of N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide?
N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43573850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).