3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide

C18H28N2O3 — CID 68883280

IUPAC3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(C=CC(N)=O)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)20(14(3)4)10-11-23-16-8-6-15(7-9-18(19)21)12-17(16)22-5/h6-9,12-14H,10-11H2,1-5H3,(H2,19,21)
InChIKeyXOGQMBFSBNHBNA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.69
Rot. Bonds9

About 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide

3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide (PubChem CID 68883280) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide
PubChem CID68883280
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(C=CC(N)=O)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C18H28N2O3/c1-13(2)20(14(3)4)10-11-23-16-8-6-15(7-9-18(19)21)12-17(16)22-5/h6-9,12-14H,10-11H2,1-5H3,(H2,19,21)
InChIKeyXOGQMBFSBNHBNA-UHFFFAOYSA-N
XLogP2.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-(2-bromoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 170877086
3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
CID 70430825
(E)-3-(3,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143460
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 4652824
(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide
CID 70144749
(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 70143148
3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 20984119
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
(1E,6E)-1,7-bis[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,4-dimethylhepta-1,6-diene-3,5-dione
CID 71763545
(1E,6E)-1-[3,4-bis(2-aminoethoxy)phenyl]-7-(4-ethoxy-3-methoxyphenyl)-4-methylhepta-1,6-diene-3,5-dione
CID 126635810

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide (CID 68883280) is 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide is COc1cc(C=CC(N)=O)ccc1OCCN(C(C)C)C(C)C.
What is the InChIKey of 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide?
The InChIKey is XOGQMBFSBNHBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)20(14(3)4)10-11-23-16-8-6-15(7-9-18(19)21)12-17(16)22-5/h6-9,12-14H,10-11H2,1-5H3,(H2,19,21).
What are the key properties of 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide?
3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide has a molecular weight of 320.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 68883280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).