N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide

C14H20N2O2 — CID 54950815

IUPACN-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccccc1CNC(C)C(=O)NC
InChIInChI=1S/C14H20N2O2/c1-4-9-18-13-8-6-5-7-12(13)10-16-11(2)14(17)15-3/h4-8,11,16H,1,9-10H2,2-3H3,(H,15,17)
InChIKeyMZPDXCBICCIZFC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds7

About N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide

N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide (PubChem CID 54950815) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
PubChem CID54950815
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccccc1CNC(C)C(=O)NC
InChIInChI=1S/C14H20N2O2/c1-4-9-18-13-8-6-5-7-12(13)10-16-11(2)14(17)15-3/h4-8,11,16H,1,9-10H2,2-3H3,(H,15,17)
InChIKeyMZPDXCBICCIZFC-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 64604622
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
(2-prop-2-enoxyphenyl) N-methylcarbamate
CID 19983
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 115581406

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The IUPAC name of N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide (CID 54950815) is N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide is C=CCOc1ccccc1CNC(C)C(=O)NC.
What is the InChIKey of N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The InChIKey is MZPDXCBICCIZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-18-13-8-6-5-7-12(13)10-16-11(2)14(17)15-3/h4-8,11,16H,1,9-10H2,2-3H3,(H,15,17).
What are the key properties of N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 54950815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).