(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide

C28H35NO — CID 21185950

IUPAC(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccccc1C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1
InChIInChI=1S/C28H35NO/c1-6-29-25(30)14-11-20-9-7-8-10-22(20)28(17-18-28)21-12-13-23-24(19-21)27(4,5)16-15-26(23,2)3/h7-14,19H,6,15-18H2,1-5H3,(H,29,30)/b14-11+
InChIKeyHSBJKGVUPDDKEB-SDNWHVSQSA-N
MW401.59 g/mol
LogP6.26
Rot. Bonds5

About (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide

(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide (PubChem CID 21185950) has the molecular formula C28H35NO and a molecular weight of 401.59 g/mol. Its IUPAC name is (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
PubChem CID21185950
Molecular FormulaC28H35NO
Molecular Weight401.59 g/mol
Exact Mass401.27
IUPAC Name(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccccc1C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1
InChIInChI=1S/C28H35NO/c1-6-29-25(30)14-11-20-9-7-8-10-22(20)28(17-18-28)21-12-13-23-24(19-21)27(4,5)16-15-26(23,2)3/h7-14,19H,6,15-18H2,1-5H3,(H,29,30)/b14-11+
InChIKeyHSBJKGVUPDDKEB-SDNWHVSQSA-N
XLogP6.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 56.26
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-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide (CID 21185950) is (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide is CCNC(=O)/C=C/c1ccccc1C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1.
What is the InChIKey of (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
The InChIKey is HSBJKGVUPDDKEB-SDNWHVSQSA-N. The full InChI is InChI=1S/C28H35NO/c1-6-29-25(30)14-11-20-9-7-8-10-22(20)28(17-18-28)21-12-13-23-24(19-21)27(4,5)16-15-26(23,2)3/h7-14,19H,6,15-18H2,1-5H3,(H,29,30)/b14-11+.
What are the key properties of (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide has a molecular weight of 401.59 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide is sourced from PubChem (CID 21185950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).