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

C15H22N2O — CID 54908495

IUPAC2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-3-11(2)17-15(14(16)18)9-8-12-6-4-5-7-13(12)10-15/h4-7,11,17H,3,8-10H2,1-2H3,(H2,16,18)
InChIKeyXMVPVRVUTZEYIJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.79
Rot. Bonds4

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

2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 54908495) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID54908495
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCC(C)NC1(C(N)=O)CCc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-3-11(2)17-15(14(16)18)9-8-12-6-4-5-7-13(12)10-15/h4-7,11,17H,3,8-10H2,1-2H3,(H2,16,18)
InChIKeyXMVPVRVUTZEYIJ-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510770
2-(propylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 60797133
N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine
CID 115922520
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992549
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
CID 61005096
1-[[(2S)-1-(2-fluorophenyl)propan-2-yl]amino]cyclopropane-1-carboxamide
CID 99833715
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
2-[2-(ethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
CID 65233946
ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
CID 144636496
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
CID 65236290

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 54908495) is 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is CCC(C)NC1(C(N)=O)CCc2ccccc2C1.
What is the InChIKey of 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is XMVPVRVUTZEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-11(2)17-15(14(16)18)9-8-12-6-4-5-7-13(12)10-15/h4-7,11,17H,3,8-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 54908495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).