(1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide

C18H31NO2 — CID 71714011

IUPAC(1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1[C@H]2[C@@H](C)C[C@@H](C)C[C@@]2(C)C=C(C)[C@H]1C
InChIInChI=1S/C18H31NO2/c1-11-8-12(2)16-15(17(20)19(6)21-7)14(4)13(3)10-18(16,5)9-11/h10-12,14-16H,8-9H2,1-7H3/t11-,12+,14-,15+,16-,18+/m1/s1
InChIKeyLKAJZAKSXVAPGG-OMEWIBDJSA-N
MW293.45 g/mol
LogP3.91
Rot. Bonds2

About (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide

(1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide (PubChem CID 71714011) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide
PubChem CID71714011
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1[C@H]2[C@@H](C)C[C@@H](C)C[C@@]2(C)C=C(C)[C@H]1C
InChIInChI=1S/C18H31NO2/c1-11-8-12(2)16-15(17(20)19(6)21-7)14(4)13(3)10-18(16,5)9-11/h10-12,14-16H,8-9H2,1-7H3/t11-,12+,14-,15+,16-,18+/m1/s1
InChIKeyLKAJZAKSXVAPGG-OMEWIBDJSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide?
The IUPAC name of (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide (CID 71714011) is (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide.
What is the SMILES notation for (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide?
The canonical SMILES for (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide is CON(C)C(=O)[C@@H]1[C@H]2[C@@H](C)C[C@@H](C)C[C@@]2(C)C=C(C)[C@H]1C.
What is the InChIKey of (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide?
The InChIKey is LKAJZAKSXVAPGG-OMEWIBDJSA-N. The full InChI is InChI=1S/C18H31NO2/c1-11-8-12(2)16-15(17(20)19(6)21-7)14(4)13(3)10-18(16,5)9-11/h10-12,14-16H,8-9H2,1-7H3/t11-,12+,14-,15+,16-,18+/m1/s1.
What are the key properties of (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide?
(1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4aR,6R,8S,8aR)-N-methoxy-N,2,3,4a,6,8-hexamethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 71714011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).