(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone

C28H31NO — CID 45272121

IUPAC(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C28H31NO/c1-4-6-11-19-29-20(3)27(25-15-9-10-16-26(25)29)28(30)24-18-17-21(12-5-2)22-13-7-8-14-23(22)24/h7-10,13-18H,4-6,11-12,19H2,1-3H3
InChIKeyMRZUOBIFOHQHRD-UHFFFAOYSA-N
MW397.56 g/mol
LogP7.48
Rot. Bonds8

About (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone

(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone (PubChem CID 45272121) has the molecular formula C28H31NO and a molecular weight of 397.56 g/mol. Its IUPAC name is (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
PubChem CID45272121
Molecular FormulaC28H31NO
Molecular Weight397.56 g/mol
Exact Mass397.24
IUPAC Name(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C28H31NO/c1-4-6-11-19-29-20(3)27(25-15-9-10-16-26(25)29)28(30)24-18-17-21(12-5-2)22-13-7-8-14-23(22)24/h7-10,13-18H,4-6,11-12,19H2,1-3H3
InChIKeyMRZUOBIFOHQHRD-UHFFFAOYSA-N
XLogP7.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 45267819
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
(7-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 11473309
[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
CID 70527772
1-(4-hexylnaphthalen-1-yl)ethanone
CID 125472643
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
[1-(11-methoxyundecyl)-2-methylindol-3-yl]-phenylmethanone
CID 70528535
benzene;9-octylcarbazole
CID 175067369
1-hexyl-4-propylnaphthalene
CID 173269452
2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 23635897
9-octylcarbazol-1-ol
CID 160567195

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
The IUPAC name of (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone (CID 45272121) is (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone.
What is the SMILES notation for (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
The canonical SMILES for (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone is CCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21.
What is the InChIKey of (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
The InChIKey is MRZUOBIFOHQHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO/c1-4-6-11-19-29-20(3)27(25-15-9-10-16-26(25)29)28(30)24-18-17-21(12-5-2)22-13-7-8-14-23(22)24/h7-10,13-18H,4-6,11-12,19H2,1-3H3.
What are the key properties of (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone has a molecular weight of 397.56 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone is sourced from PubChem (CID 45272121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).