3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide

C17H16N2O2 — CID 81392741

IUPAC3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2cc1N)c1ccco1
InChIInChI=1S/C17H16N2O2/c1-11(16-7-4-8-21-16)19-17(20)14-9-12-5-2-3-6-13(12)10-15(14)18/h2-11H,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyIIXXNPRTZUVVIC-LLVKDONJSA-N
MW280.33 g/mol
LogP3.51
Rot. Bonds3

About 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide

3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 81392741) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
PubChem CID81392741
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2cc1N)c1ccco1
InChIInChI=1S/C17H16N2O2/c1-11(16-7-4-8-21-16)19-17(20)14-9-12-5-2-3-6-13(12)10-15(14)18/h2-11H,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyIIXXNPRTZUVVIC-LLVKDONJSA-N
XLogP3.51
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-methoxybutanoate
CID 69435371
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200472

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide (CID 81392741) is 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2cc1N)c1ccco1.
What is the InChIKey of 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is IIXXNPRTZUVVIC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(16-7-4-8-21-16)19-17(20)14-9-12-5-2-3-6-13(12)10-15(14)18/h2-11H,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide?
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 81392741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).