N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide

C22H24N2O — CID 113084958

IUPACN-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC2(c3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C22H24N2O/c1-16-6-5-7-17(12-16)13-21(25)23-15-22(10-11-22)19-14-24(2)20-9-4-3-8-18(19)20/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,23,25)
InChIKeyQFEULNJWSSVHLS-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.88
Rot. Bonds5

About N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide

N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 113084958) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID113084958
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC2(c3cn(C)c4ccccc34)CC2)c1
InChIInChI=1S/C22H24N2O/c1-16-6-5-7-17(12-16)13-21(25)23-15-22(10-11-22)19-14-24(2)20-9-4-3-8-18(19)20/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,23,25)
InChIKeyQFEULNJWSSVHLS-UHFFFAOYSA-N
XLogP3.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084942
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113085465
1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 3072916
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113084974
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
CID 51055341
2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085824
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085814

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide (CID 113084958) is N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC2(c3cn(C)c4ccccc34)CC2)c1.
What is the InChIKey of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is QFEULNJWSSVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-6-5-7-17(12-16)13-21(25)23-15-22(10-11-22)19-14-24(2)20-9-4-3-8-18(19)20/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,23,25).
What are the key properties of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 332.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113084958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).