[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate

C21H20N2O5 — CID 7881356

IUPAC[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1
InChIInChI=1S/C21H20N2O5/c1-14(20(25)22-12-18-7-4-10-27-18)28-19(24)13-23-21(26)17-9-8-15-5-2-3-6-16(15)11-17/h2-11,14H,12-13H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1
InChIKeyNOWDLVIBMWQIAB-AWEZNQCLSA-N
MW380.40 g/mol
LogP2.41
Rot. Bonds7

About [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881356) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881356
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1
InChIInChI=1S/C21H20N2O5/c1-14(20(25)22-12-18-7-4-10-27-18)28-19(24)13-23-21(26)17-9-8-15-5-2-3-6-16(15)11-17/h2-11,14H,12-13H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1
InChIKeyNOWDLVIBMWQIAB-AWEZNQCLSA-N
XLogP2.41
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881443
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 42902368
[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881119
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705386
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971634
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881130
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901784
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195612
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate (CID 7881356) is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate is C[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1.
What is the InChIKey of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is NOWDLVIBMWQIAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14(20(25)22-12-18-7-4-10-27-18)28-19(24)13-23-21(26)17-9-8-15-5-2-3-6-16(15)11-17/h2-11,14H,12-13H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1.
What are the key properties of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate?
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 380.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).