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

C28H35NO — CID 70183549

IUPACN-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
SMILESCCNC(=O)C=Cc1ccccc1C1(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)
InChIKeyHSBJKGVUPDDKEB-UHFFFAOYSA-N
MW401.59 g/mol
LogP6.26
Rot. Bonds5

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

N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide (PubChem CID 70183549) has the molecular formula C28H35NO and a molecular weight of 401.59 g/mol. Its IUPAC name is N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
PubChem CID70183549
Molecular FormulaC28H35NO
Molecular Weight401.59 g/mol
Exact Mass401.27
IUPAC NameN-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
SMILESCCNC(=O)C=Cc1ccccc1C1(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)
InChIKeyHSBJKGVUPDDKEB-UHFFFAOYSA-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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Related Compounds

(E)-N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
CID 21185950
1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one
CID 70182746
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
ethyl (E)-3-[2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethyl]phenyl]prop-2-enoate
CID 21185883
ethyl 3-[3-methyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2H-1-benzofuran-6-yl]prop-2-enoate
CID 54110737
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
(E)-3-(2-bromophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]prop-2-enamide
CID 114751640
ethyl (2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 154935044
3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-ol
CID 54120103
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
The IUPAC name of N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide (CID 70183549) is 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 N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
The canonical SMILES for N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide is CCNC(=O)C=Cc1ccccc1C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1.
What is the InChIKey of N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
The InChIKey is HSBJKGVUPDDKEB-UHFFFAOYSA-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).
What are the key properties of N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide?
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 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 70183549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).