1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one

C30H37NO2 — CID 70182746

IUPAC1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one
SMILESCC1(C)CCC(C)(C)c2cc(C3(c4ccccc4C=CC(=O)N4CCOCC4)CC3)ccc21
InChIInChI=1S/C30H37NO2/c1-28(2)13-14-29(3,4)26-21-23(10-11-25(26)28)30(15-16-30)24-8-6-5-7-22(24)9-12-27(32)31-17-19-33-20-18-31/h5-12,21H,13-20H2,1-4H3
InChIKeyWNPUPVNBFRTFGJ-UHFFFAOYSA-N
MW443.63 g/mol
LogP5.99
Rot. Bonds4

About 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one

1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one (PubChem CID 70182746) has the molecular formula C30H37NO2 and a molecular weight of 443.63 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one
PubChem CID70182746
Molecular FormulaC30H37NO2
Molecular Weight443.63 g/mol
Exact Mass443.28
IUPAC Name1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one
SMILESCC1(C)CCC(C)(C)c2cc(C3(c4ccccc4C=CC(=O)N4CCOCC4)CC3)ccc21
InChIInChI=1S/C30H37NO2/c1-28(2)13-14-29(3,4)26-21-23(10-11-25(26)28)30(15-16-30)24-8-6-5-7-22(24)9-12-27(32)31-17-19-33-20-18-31/h5-12,21H,13-20H2,1-4H3
InChIKeyWNPUPVNBFRTFGJ-UHFFFAOYSA-N
XLogP5.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
N-ethyl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enamide
CID 70183549
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
3-(2-iodophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 123233908
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
3-[2-[2-hydroxy-3-[4-hydroxy-4-(6-methoxynaphthalen-2-yl)piperidin-1-yl]propoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 139825593
(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 11586936
ethyl 3-[3-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-enoate
CID 70183425
(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
CID 151039333
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 76872983
(E)-3-[(3R,4R)-3,5-dihydroxy-2,2-dimethyl-4-morpholin-4-yl-3,4-dihydrochromen-6-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 7108024

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one?
The IUPAC name of 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) is 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one is CC1(C)CCC(C)(C)c2cc(C3(c4ccccc4C=CC(=O)N4CCOCC4)CC3)ccc21.
What is the InChIKey of 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one?
The InChIKey is WNPUPVNBFRTFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO2/c1-28(2)13-14-29(3,4)26-21-23(10-11-25(26)28)30(15-16-30)24-8-6-5-7-22(24)9-12-27(32)31-17-19-33-20-18-31/h5-12,21H,13-20H2,1-4H3.
What are the key properties of 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one?
1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one has a molecular weight of 443.63 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 70182746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).