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

C16H24N2O2 — CID 115510770

IUPAC2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H24N2O2/c1-4-11(2)18-16(15(17)19)8-7-12-5-6-14(20-3)9-13(12)10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyPRHUAHFSOWTIEY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds5

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

2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 115510770) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID115510770
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H24N2O2/c1-4-11(2)18-16(15(17)19)8-7-12-5-6-14(20-3)9-13(12)10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H2,17,19)
InChIKeyPRHUAHFSOWTIEY-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510759
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 115510796
[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79374790
methyl 2-[2-(1-aminopropyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511242
methyl 2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)-3-methylbutanoate
CID 115511103
3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol
CID 83177752
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511201
1-(butan-2-ylamino)cycloheptane-1-carboxamide
CID 61023374
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 115510770) is 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide is CCC(C)NC1(C(N)=O)CCc2ccc(OC)cc2C1.
What is the InChIKey of 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is PRHUAHFSOWTIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-11(2)18-16(15(17)19)8-7-12-5-6-14(20-3)9-13(12)10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H2,17,19).
What are the key properties of 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide?
2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 115510770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).