ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate

C25H23NO3 — CID 72948236

IUPACethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H23NO3/c1-2-29-24(27)15-8-16-26-17-22(20-12-5-6-14-23(20)26)25(28)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,2,8,15-16H2,1H3
InChIKeyKVNIUKCERQTNHV-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.37
Rot. Bonds7

About ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate

ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate (PubChem CID 72948236) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
PubChem CID72948236
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Nameethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H23NO3/c1-2-29-24(27)15-8-16-26-17-22(20-12-5-6-14-23(20)26)25(28)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,2,8,15-16H2,1H3
InChIKeyKVNIUKCERQTNHV-UHFFFAOYSA-N
XLogP5.37
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
CID 10959466
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
ethyl 4-(3-tridecanoylindol-1-yl)butanoate
CID 22400496
ethyl 4-(3-dodecanoylindol-1-yl)butanoate
CID 22400499
[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193
ethyl 4-[3-(nonylcarbamoyl)indol-1-yl]butanoate
CID 22400562
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 125181380
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 91713112
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
ethyl 4-[3-[4-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]benzoyl]indol-1-yl]butanoate
CID 19024837
[1-(2,2,3,3,4,4,4-heptadeuteriobutyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 53394763

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate?
The IUPAC name of ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate (CID 72948236) is ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate?
The canonical SMILES for ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate is CCOC(=O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate?
The InChIKey is KVNIUKCERQTNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-2-29-24(27)15-8-16-26-17-22(20-12-5-6-14-23(20)26)25(28)21-13-7-10-18-9-3-4-11-19(18)21/h3-7,9-14,17H,2,8,15-16H2,1H3.
What are the key properties of ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate?
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate has a molecular weight of 385.46 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate is sourced from PubChem (CID 72948236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).