methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate

C21H27NO4 — CID 14178708

IUPACmethyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H27NO4/c1-13(2)10-19(21(24)26-5)22-20(23)14(3)15-6-7-17-12-18(25-4)9-8-16(17)11-15/h6-9,11-14,19H,10H2,1-5H3,(H,22,23)
InChIKeyOLIHZEUNKCIHOG-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.66
Rot. Bonds7

About methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate

methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate (PubChem CID 14178708) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
PubChem CID14178708
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Namemethyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H27NO4/c1-13(2)10-19(21(24)26-5)22-20(23)14(3)15-6-7-17-12-18(25-4)9-8-16(17)11-15/h6-9,11-14,19H,10H2,1-5H3,(H,22,23)
InChIKeyOLIHZEUNKCIHOG-UHFFFAOYSA-N
XLogP3.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
CID 120507302
4-O-(azidomethyl) 1-O-methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]butanedioate
CID 122525081
butyl (2S)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]propanoate
CID 118859513
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl (2R)-2-acetamido-3-[2-(6-methoxynaphthalen-2-yl)propanoylsulfanyl]propanoate
CID 59487585
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 51426599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate?
The IUPAC name of methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate (CID 14178708) is methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate?
The InChIKey is OLIHZEUNKCIHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-13(2)10-19(21(24)26-5)22-20(23)14(3)15-6-7-17-12-18(25-4)9-8-16(17)11-15/h6-9,11-14,19H,10H2,1-5H3,(H,22,23).
What are the key properties of methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate?
methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate has a molecular weight of 357.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoate is sourced from PubChem (CID 14178708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).