2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone

C23H24N2O — CID 160904336

IUPAC2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O/c26-23(20-14-25-21-4-2-1-3-18(20)21)11-15-7-9-17(10-8-15)19-12-22(19)24-13-16-5-6-16/h1-4,7-10,14,16,19,22,24-25H,5-6,11-13H2
InChIKeySPXSNGGCSDDLAG-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.45
Rot. Bonds7

About 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone

2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone (PubChem CID 160904336) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
PubChem CID160904336
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O/c26-23(20-14-25-21-4-2-1-3-18(20)21)11-15-7-9-17(10-8-15)19-12-22(19)24-13-16-5-6-16/h1-4,7-10,14,16,19,22,24-25H,5-6,11-13H2
InChIKeySPXSNGGCSDDLAG-UHFFFAOYSA-N
XLogP4.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1H-indole-3-carboxamide
CID 90214102
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1H-indol-3-yl)benzamide
CID 118378754
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
CID 159581061
1-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]ethanone
CID 146685748
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 158404708
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-[4-[4-[2-(1H-indol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone
CID 148550986
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone (CID 160904336) is 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone is O=C(Cc1ccc(C2CC2NCC2CC2)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is SPXSNGGCSDDLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(20-14-25-21-4-2-1-3-18(20)21)11-15-7-9-17(10-8-15)19-12-22(19)24-13-16-5-6-16/h1-4,7-10,14,16,19,22,24-25H,5-6,11-13H2.
What are the key properties of 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone?
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 344.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 160904336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).