N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C18H27NO5 — CID 4241398

IUPACN-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCCOC(C)C)c(OC)c1OC
InChIInChI=1S/C18H27NO5/c1-13(2)24-12-6-11-19-16(20)10-8-14-7-9-15(21-3)18(23-5)17(14)22-4/h7-10,13H,6,11-12H2,1-5H3,(H,19,20)
InChIKeyWDUHCIAOPNNOBY-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.66
Rot. Bonds10

About N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 4241398) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID4241398
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC NameN-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCCCOC(C)C)c(OC)c1OC
InChIInChI=1S/C18H27NO5/c1-13(2)24-12-6-11-19-16(20)10-8-14-7-9-15(21-3)18(23-5)17(14)22-4/h7-10,13H,6,11-12H2,1-5H3,(H,19,20)
InChIKeyWDUHCIAOPNNOBY-UHFFFAOYSA-N
XLogP2.66
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-methoxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126388548
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropyl)prop-2-enamide
CID 51204733
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
CID 84557501
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
(E)-N-[1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 46772437
(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 94019784
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6297086
N-(2-methoxyethyl)-2-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6142313

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 4241398) is N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)NCCCOC(C)C)c(OC)c1OC.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is WDUHCIAOPNNOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-13(2)24-12-6-11-19-16(20)10-8-14-7-9-15(21-3)18(23-5)17(14)22-4/h7-10,13H,6,11-12H2,1-5H3,(H,19,20).
What are the key properties of N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4241398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).