(E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide

C24H29NO — CID 51039322

IUPAC(E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide
SMILESCc1cc2c(cc1NC(=O)/C=C/c1ccccc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H29NO/c1-17-15-19-20(24(4,5)14-13-23(19,2)3)16-21(17)25-22(26)12-11-18-9-7-6-8-10-18/h6-12,15-16H,13-14H2,1-5H3,(H,25,26)/b12-11+
InChIKeyQDJBRKMRGKFUMB-VAWYXSNFSA-N
MW347.50 g/mol
LogP6.00
Rot. Bonds3

About (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide

(E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide (PubChem CID 51039322) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide
PubChem CID51039322
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide
SMILESCc1cc2c(cc1NC(=O)/C=C/c1ccccc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H29NO/c1-17-15-19-20(24(4,5)14-13-23(19,2)3)16-21(17)25-22(26)12-11-18-9-7-6-8-10-18/h6-12,15-16H,13-14H2,1-5H3,(H,25,26)/b12-11+
InChIKeyQDJBRKMRGKFUMB-VAWYXSNFSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
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)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide (CID 51039322) is (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide is Cc1cc2c(cc1NC(=O)/C=C/c1ccccc1)C(C)(C)CCC2(C)C.
What is the InChIKey of (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide?
The InChIKey is QDJBRKMRGKFUMB-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H29NO/c1-17-15-19-20(24(4,5)14-13-23(19,2)3)16-21(17)25-22(26)12-11-18-9-7-6-8-10-18/h6-12,15-16H,13-14H2,1-5H3,(H,25,26)/b12-11+.
What are the key properties of (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide?
(E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide has a molecular weight of 347.50 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 51039322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).