2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C27H29N3O — CID 164621073

IUPAC2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCCCc1ccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H29N3O/c1-2-3-8-20-13-15-22(16-14-20)30-26-12-7-5-10-24(26)27(31)28-18-17-21-19-29-25-11-6-4-9-23(21)25/h4-7,9-16,19,29-30H,2-3,8,17-18H2,1H3,(H,28,31)
InChIKeyKZNPTCIBMGQHIK-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.23
Rot. Bonds9

About 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 164621073) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID164621073
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCCCc1ccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H29N3O/c1-2-3-8-20-13-15-22(16-14-20)30-26-12-7-5-10-24(26)27(31)28-18-17-21-19-29-25-11-6-4-9-23(21)25/h4-7,9-16,19,29-30H,2-3,8,17-18H2,1H3,(H,28,31)
InChIKeyKZNPTCIBMGQHIK-UHFFFAOYSA-N
XLogP6.23
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
CID 175502809
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
[3-[2-[(2-anilinobenzoyl)amino]ethyl]-1H-indol-5-yl] N-butylcarbamate
CID 175502824
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 164621073) is 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is CCCCc1ccc(Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is KZNPTCIBMGQHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-2-3-8-20-13-15-22(16-14-20)30-26-12-7-5-10-24(26)27(31)28-18-17-21-19-29-25-11-6-4-9-23(21)25/h4-7,9-16,19,29-30H,2-3,8,17-18H2,1H3,(H,28,31).
What are the key properties of 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 6.23, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 164621073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).