1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone

C14H19N3O — CID 171813658

IUPAC1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone
SMILESC=C(C)NCC(=O)N1CCc2c(NC)cccc21
InChIInChI=1S/C14H19N3O/c1-10(2)16-9-14(18)17-8-7-11-12(15-3)5-4-6-13(11)17/h4-6,15-16H,1,7-9H2,2-3H3
InChIKeyLHSZUZBIFRDCBS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds4

About 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone

1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone (PubChem CID 171813658) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone
PubChem CID171813658
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone
SMILESC=C(C)NCC(=O)N1CCc2c(NC)cccc21
InChIInChI=1S/C14H19N3O/c1-10(2)16-9-14(18)17-8-7-11-12(15-3)5-4-6-13(11)17/h4-6,15-16H,1,7-9H2,2-3H3
InChIKeyLHSZUZBIFRDCBS-UHFFFAOYSA-N
XLogP1.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770
1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 121204163
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
CID 167849916
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
CID 110619444
1-[2-[(2-aminoacetyl)amino]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61162245
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103
3-acetamido-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 53125829
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone?
The IUPAC name of 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone (CID 171813658) is 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone.
What is the SMILES notation for 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone?
The canonical SMILES for 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone is C=C(C)NCC(=O)N1CCc2c(NC)cccc21.
What is the InChIKey of 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone?
The InChIKey is LHSZUZBIFRDCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)16-9-14(18)17-8-7-11-12(15-3)5-4-6-13(11)17/h4-6,15-16H,1,7-9H2,2-3H3.
What are the key properties of 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone?
1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone has a molecular weight of 245.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-2,3-dihydroindol-1-yl]-2-(prop-1-en-2-ylamino)ethanone is sourced from PubChem (CID 171813658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).