methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate

C24H25NO3 — CID 44890614

IUPACmethyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate
SMILESCOC(=O)C(c1cccc2ccccc12)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C24H25NO3/c1-16(2)22(25-23(26)18-11-5-4-6-12-18)21(24(27)28-3)20-15-9-13-17-10-7-8-14-19(17)20/h4-16,21-22H,1-3H3,(H,25,26)
InChIKeyASZCIJJKGQDSJW-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.55
Rot. Bonds6

About methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate

methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate (PubChem CID 44890614) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate.

Molecular Properties

Compound Namemethyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate
PubChem CID44890614
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate
SMILESCOC(=O)C(c1cccc2ccccc12)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C24H25NO3/c1-16(2)22(25-23(26)18-11-5-4-6-12-18)21(24(27)28-3)20-15-9-13-17-10-7-8-14-19(17)20/h4-16,21-22H,1-3H3,(H,25,26)
InChIKeyASZCIJJKGQDSJW-UHFFFAOYSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
N-[(2-methylphenyl)sulfanyl-naphthalen-1-ylmethyl]benzamide
CID 154996169
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate?
The IUPAC name of methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate (CID 44890614) is methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate.
What is the SMILES notation for methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate?
The canonical SMILES for methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate is COC(=O)C(c1cccc2ccccc12)C(NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate?
The InChIKey is ASZCIJJKGQDSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-16(2)22(25-23(26)18-11-5-4-6-12-18)21(24(27)28-3)20-15-9-13-17-10-7-8-14-19(17)20/h4-16,21-22H,1-3H3,(H,25,26).
What are the key properties of methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate?
methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate has a molecular weight of 375.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzamido-4-methyl-2-naphthalen-1-ylpentanoate is sourced from PubChem (CID 44890614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).