N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide

C16H23NO3 — CID 49367786

IUPACN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
SMILESC=CCc1cc(CNC(=O)C(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO3/c1-6-7-13-8-12(10-17-16(18)11(2)3)9-14(19-4)15(13)20-5/h6,8-9,11H,1,7,10H2,2-5H3,(H,17,18)
InChIKeyLMEUZTVZVUJPCW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.70
Rot. Bonds7

About N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide

N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide (PubChem CID 49367786) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
PubChem CID49367786
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
SMILESC=CCc1cc(CNC(=O)C(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO3/c1-6-7-13-8-12(10-17-16(18)11(2)3)9-14(19-4)15(13)20-5/h6,8-9,11H,1,7,10H2,2-5H3,(H,17,18)
InChIKeyLMEUZTVZVUJPCW-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.70
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

(2R)-2-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
CID 119311821
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119763455
3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
CID 119311803
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119763447
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-(furan-2-yl)propanamide
CID 49367800
4-[3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylamino]-3-oxopropyl]benzoic acid
CID 119183354
1-benzyl-3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylguanidine
CID 110953464
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111217482
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227752
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]morpholine-3-carboxamide
CID 119763446
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide (CID 49367786) is N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide is C=CCc1cc(CNC(=O)C(C)C)cc(OC)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide?
The InChIKey is LMEUZTVZVUJPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-7-13-8-12(10-17-16(18)11(2)3)9-14(19-4)15(13)20-5/h6,8-9,11H,1,7,10H2,2-5H3,(H,17,18).
What are the key properties of N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide?
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 49367786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).