(2-methyl-1-undecylindol-3-yl)-phenylmethanone

C27H35NO — CID 70525759

IUPAC(2-methyl-1-undecylindol-3-yl)-phenylmethanone
SMILESCCCCCCCCCCCn1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H35NO/c1-3-4-5-6-7-8-9-10-16-21-28-22(2)26(24-19-14-15-20-25(24)28)27(29)23-17-12-11-13-18-23/h11-15,17-20H,3-10,16,21H2,1-2H3
InChIKeyNXVBCFKWOIUSFI-UHFFFAOYSA-N
MW389.58 g/mol
LogP7.71
Rot. Bonds12

About (2-methyl-1-undecylindol-3-yl)-phenylmethanone

(2-methyl-1-undecylindol-3-yl)-phenylmethanone (PubChem CID 70525759) has the molecular formula C27H35NO and a molecular weight of 389.58 g/mol. Its IUPAC name is (2-methyl-1-undecylindol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-1-undecylindol-3-yl)-phenylmethanone
PubChem CID70525759
Molecular FormulaC27H35NO
Molecular Weight389.58 g/mol
Exact Mass389.27
IUPAC Name(2-methyl-1-undecylindol-3-yl)-phenylmethanone
SMILESCCCCCCCCCCCn1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C27H35NO/c1-3-4-5-6-7-8-9-10-16-21-28-22(2)26(24-19-14-15-20-25(24)28)27(29)23-17-12-11-13-18-23/h11-15,17-20H,3-10,16,21H2,1-2H3
InChIKeyNXVBCFKWOIUSFI-UHFFFAOYSA-N
XLogP7.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 57.71
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

[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
CID 70527772
[1-(11-methoxyundecyl)-2-methylindol-3-yl]-phenylmethanone
CID 70528535
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
CID 45272121
benzene;9-octylcarbazole
CID 175067369
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
[2-methyl-1-(4-pyridin-4-ylsulfinylbutyl)indol-3-yl]-phenylmethanone
CID 70527709
[2-methyl-1-(4-pyridin-2-ylsulfonylbutyl)indol-3-yl]-phenylmethanone
CID 70525577
3-octadecanoyl-1-octylindole-2-carboxylic acid
CID 10626256
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 45267819
2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 23635897

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-undecylindol-3-yl)-phenylmethanone?
The IUPAC name of (2-methyl-1-undecylindol-3-yl)-phenylmethanone (CID 70525759) is (2-methyl-1-undecylindol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-methyl-1-undecylindol-3-yl)-phenylmethanone?
The canonical SMILES for (2-methyl-1-undecylindol-3-yl)-phenylmethanone is CCCCCCCCCCCn1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of (2-methyl-1-undecylindol-3-yl)-phenylmethanone?
The InChIKey is NXVBCFKWOIUSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO/c1-3-4-5-6-7-8-9-10-16-21-28-22(2)26(24-19-14-15-20-25(24)28)27(29)23-17-12-11-13-18-23/h11-15,17-20H,3-10,16,21H2,1-2H3.
What are the key properties of (2-methyl-1-undecylindol-3-yl)-phenylmethanone?
(2-methyl-1-undecylindol-3-yl)-phenylmethanone has a molecular weight of 389.58 g/mol, XLogP of 7.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-undecylindol-3-yl)-phenylmethanone is sourced from PubChem (CID 70525759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).