N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide

C14H21NO5 — CID 11832915

IUPACN-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N(C)OC)cc(OC)c1OC
InChIInChI=1S/C14H21NO5/c1-15(20-5)13(16)7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,6-7H2,1-5H3
InChIKeyOWXPQISSSLCRCD-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.66
Rot. Bonds7

About N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide

N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 11832915) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID11832915
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N(C)OC)cc(OC)c1OC
InChIInChI=1S/C14H21NO5/c1-15(20-5)13(16)7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,6-7H2,1-5H3
InChIKeyOWXPQISSSLCRCD-UHFFFAOYSA-N
XLogP1.66
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
1-[methyl-[3-(3,4,5-trimethoxyphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539528
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 31795480
N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide
CID 11752201
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55370350
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715
3-oxo-5-(3,4,5-trimethoxyphenyl)pentanenitrile
CID 602587
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide (CID 11832915) is N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)N(C)OC)cc(OC)c1OC.
What is the InChIKey of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is OWXPQISSSLCRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-15(20-5)13(16)7-6-10-8-11(17-2)14(19-4)12(9-10)18-3/h8-9H,6-7H2,1-5H3.
What are the key properties of N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 283.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 11832915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).