(E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

C25H29NO — CID 46935206

IUPAC(E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
SMILESCC(C)N(C(=O)/C=C/C1=C(c2ccccc2)c2ccccc2CC1)C(C)C
InChIInChI=1S/C25H29NO/c1-18(2)26(19(3)4)24(27)17-16-22-15-14-20-10-8-9-13-23(20)25(22)21-11-6-5-7-12-21/h5-13,16-19H,14-15H2,1-4H3/b17-16+
InChIKeyDAWPRSLVEDDWES-WUKNDPDISA-N
MW359.51 g/mol
LogP5.64
Rot. Bonds5

About (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide

(E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide (PubChem CID 46935206) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
PubChem CID46935206
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name(E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide
SMILESCC(C)N(C(=O)/C=C/C1=C(c2ccccc2)c2ccccc2CC1)C(C)C
InChIInChI=1S/C25H29NO/c1-18(2)26(19(3)4)24(27)17-16-22-15-14-20-10-8-9-13-23(20)25(22)21-11-6-5-7-12-21/h5-13,16-19H,14-15H2,1-4H3/b17-16+
InChIKeyDAWPRSLVEDDWES-WUKNDPDISA-N
XLogP5.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide (CID 46935206) is (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide is CC(C)N(C(=O)/C=C/C1=C(c2ccccc2)c2ccccc2CC1)C(C)C.
What is the InChIKey of (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
The InChIKey is DAWPRSLVEDDWES-WUKNDPDISA-N. The full InChI is InChI=1S/C25H29NO/c1-18(2)26(19(3)4)24(27)17-16-22-15-14-20-10-8-9-13-23(20)25(22)21-11-6-5-7-12-21/h5-13,16-19H,14-15H2,1-4H3/b17-16+.
What are the key properties of (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide?
(E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide has a molecular weight of 359.51 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenyl-3,4-dihydronaphthalen-2-yl)-N,N-di(propan-2-yl)prop-2-enamide is sourced from PubChem (CID 46935206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).