(1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide

C18H23NO3 — CID 134833890

IUPAC(1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide
SMILESCOC1=C[C@H](C(=O)N(C)C)[C@H](C)[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C18H23NO3/c1-12-14(13-8-6-5-7-9-13)10-16(20)17(22-4)11-15(12)18(21)19(2)3/h5-9,11-12,14-15H,10H2,1-4H3/t12-,14+,15+/m1/s1
InChIKeyFFTIKSSXEKLHAT-SNPRPXQTSA-N
MW301.39 g/mol
LogP2.61
Rot. Bonds3

About (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide

(1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide (PubChem CID 134833890) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide
PubChem CID134833890
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide
SMILESCOC1=C[C@H](C(=O)N(C)C)[C@H](C)[C@@H](c2ccccc2)CC1=O
InChIInChI=1S/C18H23NO3/c1-12-14(13-8-6-5-7-9-13)10-16(20)17(22-4)11-15(12)18(21)19(2)3/h5-9,11-12,14-15H,10H2,1-4H3/t12-,14+,15+/m1/s1
InChIKeyFFTIKSSXEKLHAT-SNPRPXQTSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide?
The IUPAC name of (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide (CID 134833890) is (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide.
What is the SMILES notation for (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide?
The canonical SMILES for (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide is COC1=C[C@H](C(=O)N(C)C)[C@H](C)[C@@H](c2ccccc2)CC1=O.
What is the InChIKey of (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide?
The InChIKey is FFTIKSSXEKLHAT-SNPRPXQTSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-14(13-8-6-5-7-9-13)10-16(20)17(22-4)11-15(12)18(21)19(2)3/h5-9,11-12,14-15H,10H2,1-4H3/t12-,14+,15+/m1/s1.
What are the key properties of (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide?
(1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R)-3-methoxy-N,N,7-trimethyl-4-oxo-6-phenylcyclohept-2-ene-1-carboxamide is sourced from PubChem (CID 134833890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).