[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate

C25H26N2O4 — CID 7324020

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H26N2O4/c1-17(2)15-22(27-24(29)19-10-4-3-5-11-19)25(30)31-16-23(28)26-21-14-8-12-18-9-6-7-13-20(18)21/h3-14,17,22H,15-16H2,1-2H3,(H,26,28)(H,27,29)/t22-/m1/s1
InChIKeyQLNKRTYPELJWAO-JOCHJYFZSA-N
MW418.49 g/mol
LogP4.17
Rot. Bonds8

About [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate (PubChem CID 7324020) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate
PubChem CID7324020
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C25H26N2O4/c1-17(2)15-22(27-24(29)19-10-4-3-5-11-19)25(30)31-16-23(28)26-21-14-8-12-18-9-6-7-13-20(18)21/h3-14,17,22H,15-16H2,1-2H3,(H,26,28)(H,27,29)/t22-/m1/s1
InChIKeyQLNKRTYPELJWAO-JOCHJYFZSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate with MolForge

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Related Compounds

ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 42582977
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 42965779
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 42965752
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 7990905
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methylpentanoate
CID 98329510
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209317
[2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 7191240
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 2128639

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate (CID 7324020) is [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate is CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate?
The InChIKey is QLNKRTYPELJWAO-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17(2)15-22(27-24(29)19-10-4-3-5-11-19)25(30)31-16-23(28)26-21-14-8-12-18-9-6-7-13-20(18)21/h3-14,17,22H,15-16H2,1-2H3,(H,26,28)(H,27,29)/t22-/m1/s1.
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate has a molecular weight of 418.49 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate is sourced from PubChem (CID 7324020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).