2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone

C21H24N2O2 — CID 8770055

IUPAC2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(CN(CC(=O)N2CCc3ccccc32)C2CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-19-10-6-16(7-11-19)14-22(18-8-9-18)15-21(24)23-13-12-17-4-2-3-5-20(17)23/h2-7,10-11,18H,8-9,12-15H2,1H3
InChIKeyMNNPXNNFKDOXNS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.25
Rot. Bonds6

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 8770055) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID8770055
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(CN(CC(=O)N2CCc3ccccc32)C2CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-19-10-6-16(7-11-19)14-22(18-8-9-18)15-21(24)23-13-12-17-4-2-3-5-20(17)23/h2-7,10-11,18H,8-9,12-15H2,1H3
InChIKeyMNNPXNNFKDOXNS-UHFFFAOYSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 27082850
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 34712894
2-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 55352067
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-[(4-methoxyphenyl)methyl]amino]ethanone
CID 35030324
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 119932761
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 46595563
1-(2,3-dihydroindol-1-yl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 4859010
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770815

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone (CID 8770055) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone is COc1ccc(CN(CC(=O)N2CCc3ccccc32)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MNNPXNNFKDOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-19-10-6-16(7-11-19)14-22(18-8-9-18)15-21(24)23-13-12-17-4-2-3-5-20(17)23/h2-7,10-11,18H,8-9,12-15H2,1H3.
What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 336.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 8770055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).