[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate

C17H19NO3 — CID 18090823

IUPAC[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
SMILESCCCNC(=O)C(C)OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-3-10-18-16(19)12(2)21-17(20)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,19)
InChIKeyNZCJTNMKCHAHMD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.91
Rot. Bonds5

About [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate

[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate (PubChem CID 18090823) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
PubChem CID18090823
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
SMILESCCCNC(=O)C(C)OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-3-10-18-16(19)12(2)21-17(20)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,19)
InChIKeyNZCJTNMKCHAHMD-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-3-methylbenzoate
CID 61322206
[1-oxo-1-(propylamino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18092071
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
N-propylnaphthalene-2-carboxamide
CID 6624536
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698066
bis(1-ethoxy-1-oxopropan-2-yl) naphthalene-2,6-dicarboxylate
CID 19746975
2-O-[(2R)-1-oxo-1-(propylamino)propan-2-yl] 6-O-[(2S)-1-oxo-1-(propylamino)propan-2-yl] pyridine-2,6-dicarboxylate
CID 8884022
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 27362425
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate
CID 8851137
[1-oxo-1-(propylamino)propan-2-yl] 3-(ethylsulfamoyl)benzoate
CID 43015088
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 9413093

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate?
The IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate (CID 18090823) is [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate.
What is the SMILES notation for [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate?
The canonical SMILES for [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate is CCCNC(=O)C(C)OC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate?
The InChIKey is NZCJTNMKCHAHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-10-18-16(19)12(2)21-17(20)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,3,10H2,1-2H3,(H,18,19).
What are the key properties of [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate?
[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate is sourced from PubChem (CID 18090823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).