3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide

C14H20N2O2 — CID 54868947

IUPAC3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
SMILESC=CCOc1ccc(CN(C)C(=O)CCN)cc1
InChIInChI=1S/C14H20N2O2/c1-3-10-18-13-6-4-12(5-7-13)11-16(2)14(17)8-9-15/h3-7H,1,8-11,15H2,2H3
InChIKeyQDCXESLQOLUJDH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds7

About 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide

3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide (PubChem CID 54868947) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
PubChem CID54868947
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
SMILESC=CCOc1ccc(CN(C)C(=O)CCN)cc1
InChIInChI=1S/C14H20N2O2/c1-3-10-18-13-6-4-12(5-7-13)11-16(2)14(17)8-9-15/h3-7H,1,8-11,15H2,2H3
InChIKeyQDCXESLQOLUJDH-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
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

2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
CID 104684286
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 9153474
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
2,4-dichloro-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9417489

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide (CID 54868947) is 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide is C=CCOc1ccc(CN(C)C(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
The InChIKey is QDCXESLQOLUJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-18-13-6-4-12(5-7-13)11-16(2)14(17)8-9-15/h3-7H,1,8-11,15H2,2H3.
What are the key properties of 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide?
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide is sourced from PubChem (CID 54868947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).