N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide

C28H34N2O2 — CID 70145300

IUPACN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc3ccccc3c2)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C28H34N2O2/c1-20(2)30(21(3)4)16-17-32-27-19-26(14-10-22(27)5)29-28(31)15-12-23-11-13-24-8-6-7-9-25(24)18-23/h6-15,18-21H,16-17H2,1-5H3,(H,29,31)
InChIKeyFJCCSMXPOTYVDK-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.30
Rot. Bonds9

About N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide (PubChem CID 70145300) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide
PubChem CID70145300
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc3ccccc3c2)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C28H34N2O2/c1-20(2)30(21(3)4)16-17-32-27-19-26(14-10-22(27)5)29-28(31)15-12-23-11-13-24-8-6-7-9-25(24)18-23/h6-15,18-21H,16-17H2,1-5H3,(H,29,31)
InChIKeyFJCCSMXPOTYVDK-UHFFFAOYSA-N
XLogP6.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143460
(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
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 54439942
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
3-(3,4-dichlorophenyl)-N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]prop-2-enamide
CID 139919476
3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 4094107
3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-naphthalen-2-ylprop-2-enamide
CID 4851858
N-[3-[3-[di(propan-2-yl)amino]propoxy]-4-methoxyphenyl]-3-(furan-3-yl)prop-2-enamide
CID 54281713
3-(2,4-difluorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 54229269
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide?
The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide (CID 70145300) is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccc3ccccc3c2)cc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide?
The InChIKey is FJCCSMXPOTYVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-20(2)30(21(3)4)16-17-32-27-19-26(14-10-22(27)5)29-28(31)15-12-23-11-13-24-8-6-7-9-25(24)18-23/h6-15,18-21H,16-17H2,1-5H3,(H,29,31).
What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide?
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide has a molecular weight of 430.59 g/mol, XLogP of 6.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methylphenyl]-3-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 70145300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).