N-(1-adamantylmethyl)-3-indol-1-ylpropanamide

C22H28N2O — CID 27514459

IUPACN-(1-adamantylmethyl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H28N2O/c25-21(6-8-24-7-5-19-3-1-2-4-20(19)24)23-15-22-12-16-9-17(13-22)11-18(10-16)14-22/h1-5,7,16-18H,6,8-15H2,(H,23,25)
InChIKeyKBVDRPBBBAZXEU-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.36
Rot. Bonds5

About N-(1-adamantylmethyl)-3-indol-1-ylpropanamide

N-(1-adamantylmethyl)-3-indol-1-ylpropanamide (PubChem CID 27514459) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-indol-1-ylpropanamide
PubChem CID27514459
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(1-adamantylmethyl)-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H28N2O/c25-21(6-8-24-7-5-19-3-1-2-4-20(19)24)23-15-22-12-16-9-17(13-22)11-18(10-16)14-22/h1-5,7,16-18H,6,8-15H2,(H,23,25)
InChIKeyKBVDRPBBBAZXEU-UHFFFAOYSA-N
XLogP4.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide
CID 18107729
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-indol-1-ylpropanamide
CID 51219431
4-[(3-indol-1-ylpropanoylamino)methyl]benzoate
CID 9292192
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
3-indol-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930499
3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 18284067

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-indol-1-ylpropanamide (CID 27514459) is N-(1-adamantylmethyl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-indol-1-ylpropanamide is O=C(CCn1ccc2ccccc21)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-indol-1-ylpropanamide?
The InChIKey is KBVDRPBBBAZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-21(6-8-24-7-5-19-3-1-2-4-20(19)24)23-15-22-12-16-9-17(13-22)11-18(10-16)14-22/h1-5,7,16-18H,6,8-15H2,(H,23,25).
What are the key properties of N-(1-adamantylmethyl)-3-indol-1-ylpropanamide?
N-(1-adamantylmethyl)-3-indol-1-ylpropanamide has a molecular weight of 336.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 27514459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).