[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C21H26N2O5 — CID 8952389

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)NC(=O)NCC(C)C)ccc2c1
InChIInChI=1S/C21H26N2O5/c1-13(2)11-22-21(26)23-19(24)12-28-20(25)14(3)15-5-6-17-10-18(27-4)8-7-16(17)9-15/h5-10,13-14H,11-12H2,1-4H3,(H2,22,23,24,26)/t14-/m0/s1
InChIKeyVNDMRFAEZVPTOL-AWEZNQCLSA-N
MW386.45 g/mol
LogP2.98
Rot. Bonds7

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952389) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952389
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)NC(=O)NCC(C)C)ccc2c1
InChIInChI=1S/C21H26N2O5/c1-13(2)11-22-21(26)23-19(24)12-28-20(25)14(3)15-5-6-17-10-18(27-4)8-7-16(17)9-15/h5-10,13-14H,11-12H2,1-4H3,(H2,22,23,24,26)/t14-/m0/s1
InChIKeyVNDMRFAEZVPTOL-AWEZNQCLSA-N
XLogP2.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951801
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952145
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 4773315
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951836
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951871
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951950

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952389) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC(=O)NC(=O)NCC(C)C)ccc2c1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is VNDMRFAEZVPTOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13(2)11-22-21(26)23-19(24)12-28-20(25)14(3)15-5-6-17-10-18(27-4)8-7-16(17)9-15/h5-10,13-14H,11-12H2,1-4H3,(H2,22,23,24,26)/t14-/m0/s1.
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 386.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).