(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide

C18H29N3O2 — CID 66905155

IUPAC(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCNCCCNC1[C@H](OC)Cc2ccc(C(N)=O)cc2C1(C)C
InChIInChI=1S/C18H29N3O2/c1-18(2)14-10-13(17(19)22)7-6-12(14)11-15(23-4)16(18)21-9-5-8-20-3/h6-7,10,15-16,20-21H,5,8-9,11H2,1-4H3,(H2,19,22)/t15-,16?/m1/s1
InChIKeyWSKWNLAGILPRND-AAFJCEBUSA-N
MW319.45 g/mol
LogP1.20
Rot. Bonds7

About (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide

(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide (PubChem CID 66905155) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
PubChem CID66905155
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
SMILESCNCCCNC1[C@H](OC)Cc2ccc(C(N)=O)cc2C1(C)C
InChIInChI=1S/C18H29N3O2/c1-18(2)14-10-13(17(19)22)7-6-12(14)11-15(23-4)16(18)21-9-5-8-20-3/h6-7,10,15-16,20-21H,5,8-9,11H2,1-4H3,(H2,19,22)/t15-,16?/m1/s1
InChIKeyWSKWNLAGILPRND-AAFJCEBUSA-N
XLogP1.20
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
The IUPAC name of (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide (CID 66905155) is (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide.
What is the SMILES notation for (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
The canonical SMILES for (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide is CNCCCNC1[C@H](OC)Cc2ccc(C(N)=O)cc2C1(C)C.
What is the InChIKey of (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
The InChIKey is WSKWNLAGILPRND-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2)14-10-13(17(19)22)7-6-12(14)11-15(23-4)16(18)21-9-5-8-20-3/h6-7,10,15-16,20-21H,5,8-9,11H2,1-4H3,(H2,19,22)/t15-,16?/m1/s1.
What are the key properties of (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide?
(6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-methoxy-8,8-dimethyl-7-[3-(methylamino)propylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide is sourced from PubChem (CID 66905155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).