N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide

C24H34N2O2 — CID 112804482

IUPACN-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(C(NC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)cc1
InChIInChI=1S/C24H34N2O2/c1-15(25-22(19-3-4-19)20-5-7-21(28-2)8-6-20)23(27)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-19,22,25H,3-4,9-14H2,1-2H3,(H,26,27)
InChIKeyPEODZLMYLCFBLI-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.21
Rot. Bonds7

About N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide

N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 112804482) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID112804482
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(C(NC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)cc1
InChIInChI=1S/C24H34N2O2/c1-15(25-22(19-3-4-19)20-5-7-21(28-2)8-6-20)23(27)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-19,22,25H,3-4,9-14H2,1-2H3,(H,26,27)
InChIKeyPEODZLMYLCFBLI-UHFFFAOYSA-N
XLogP4.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
CID 112811651
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 8646258
(2S)-N-(1-adamantyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9130350
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318028

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide (CID 112804482) is N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(C(NC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is PEODZLMYLCFBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-15(25-22(19-3-4-19)20-5-7-21(28-2)8-6-20)23(27)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h5-8,15-19,22,25H,3-4,9-14H2,1-2H3,(H,26,27).
What are the key properties of N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide?
N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 382.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 112804482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).