7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide

C16H24N2O2 — CID 115510759

IUPAC7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)CC(NCC(C)C)(C(N)=O)CC2
InChIInChI=1S/C16H24N2O2/c1-11(2)10-18-16(15(17)19)7-6-12-4-5-14(20-3)8-13(12)9-16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,17,19)
InChIKeyKPELEBTUGFALCL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds5

About 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide

7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 115510759) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID115510759
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)CC(NCC(C)C)(C(N)=O)CC2
InChIInChI=1S/C16H24N2O2/c1-11(2)10-18-16(15(17)19)7-6-12-4-5-14(20-3)8-13(12)9-16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,17,19)
InChIKeyKPELEBTUGFALCL-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 115510759) is 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is COc1ccc2c(c1)CC(NCC(C)C)(C(N)=O)CC2.
What is the InChIKey of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is KPELEBTUGFALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)10-18-16(15(17)19)7-6-12-4-5-14(20-3)8-13(12)9-16/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,17,19).
What are the key properties of 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 115510759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).