5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid

C25H23NO3 — CID 91864527

IUPAC5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
SMILESCc1ccc(C(=O)c2cn(CCCCC(=O)O)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H23NO3/c1-17-13-14-21(19-9-3-2-8-18(17)19)25(29)22-16-26(15-7-6-12-24(27)28)23-11-5-4-10-20(22)23/h2-5,8-11,13-14,16H,6-7,12,15H2,1H3,(H,27,28)
InChIKeyCXHVTSVFMMQERU-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.59
Rot. Bonds7

About 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid

5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid (PubChem CID 91864527) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
PubChem CID91864527
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
SMILESCc1ccc(C(=O)c2cn(CCCCC(=O)O)c3ccccc23)c2ccccc12
InChIInChI=1S/C25H23NO3/c1-17-13-14-21(19-9-3-2-8-18(17)19)25(29)22-16-26(15-7-6-12-24(27)28)23-11-5-4-10-20(22)23/h2-5,8-11,13-14,16H,6-7,12,15H2,1H3,(H,27,28)
InChIKeyCXHVTSVFMMQERU-UHFFFAOYSA-N
XLogP5.59
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 97301455
4-[1-(3-carboxypropyl)indol-3-yl]-4-oxobutanoic acid
CID 22400520
5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
CID 86268508
[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 165361507
4-(3-tridecanoylindol-1-yl)butanoic acid
CID 22400493
[1-(2-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 91707981
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776
4-[3-(3-phenylprop-2-enoyl)indol-1-yl]butanoic acid
CID 54387012
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid?
The IUPAC name of 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid (CID 91864527) is 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid?
The canonical SMILES for 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid is Cc1ccc(C(=O)c2cn(CCCCC(=O)O)c3ccccc23)c2ccccc12.
What is the InChIKey of 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid?
The InChIKey is CXHVTSVFMMQERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17-13-14-21(19-9-3-2-8-18(17)19)25(29)22-16-26(15-7-6-12-24(27)28)23-11-5-4-10-20(22)23/h2-5,8-11,13-14,16H,6-7,12,15H2,1H3,(H,27,28).
What are the key properties of 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid?
5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid has a molecular weight of 385.46 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid is sourced from PubChem (CID 91864527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).