2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone

C18H18N2O — CID 110655429

IUPAC2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
SMILESCc1ccc(NCC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-13-7-9-14(10-8-13)19-11-18(21)16-12-20(2)17-6-4-3-5-15(16)17/h3-10,12,19H,11H2,1-2H3
InChIKeyPMGGUGVMASRSDH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone

2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655429) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
PubChem CID110655429
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
SMILESCc1ccc(NCC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-13-7-9-14(10-8-13)19-11-18(21)16-12-20(2)17-6-4-3-5-15(16)17/h3-10,12,19H,11H2,1-2H3
InChIKeyPMGGUGVMASRSDH-UHFFFAOYSA-N
XLogP3.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485
2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
2-(4-methylanilino)-1-phenylethanone
CID 4230722
2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655508
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone (CID 110655429) is 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone is Cc1ccc(NCC(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone?
The InChIKey is PMGGUGVMASRSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-7-9-14(10-8-13)19-11-18(21)16-12-20(2)17-6-4-3-5-15(16)17/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone?
2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).