N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide

C20H34N4O3 — CID 59141396

IUPACN-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide
SMILESCC(=O)NCC12CC3(CN)CC(CNC(C)=O)(C1)CC(CNC(C)=O)(C3)C2
InChIInChI=1S/C20H34N4O3/c1-14(25)22-11-18-4-17(10-21)5-19(7-18,12-23-15(2)26)9-20(6-17,8-18)13-24-16(3)27/h4-13,21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFFHRHELHWTWKML-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.68
Rot. Bonds7

About N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide

N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide (PubChem CID 59141396) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide
PubChem CID59141396
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide
SMILESCC(=O)NCC12CC3(CN)CC(CNC(C)=O)(C1)CC(CNC(C)=O)(C3)C2
InChIInChI=1S/C20H34N4O3/c1-14(25)22-11-18-4-17(10-21)5-19(7-18,12-23-15(2)26)9-20(6-17,8-18)13-24-16(3)27/h4-13,21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFFHRHELHWTWKML-UHFFFAOYSA-N
XLogP0.68
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
N-[[(3R,5S)-3,5-bis(3-oxobutyl)-7-(3-oxohex-5-ynyl)-1-adamantyl]methyl]acetamide
CID 58390573
tert-butyl N-[[5-(aminomethyl)-1-bicyclo[3.1.1]heptanyl]methyl]carbamate
CID 125461960
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
N-[(2-methylaziridin-2-yl)methyl]acetamide
CID 89009988
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
magnesium;3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid;N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]acetamide;2-methylpropane;tricyclo[1.1.1.01,3]pentane;chloride
CID 162076138
N-[(3-methyldiaziridin-3-yl)methyl]acetamide
CID 71666038
N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide
CID 167168227
N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
CID 131039188
N-[[1-[(dimethylamino)methyl]cyclopropyl]methyl]acetamide
CID 175804988
ethane;N-[3-(methylaminomethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 153349343

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide?
The IUPAC name of N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide (CID 59141396) is N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide.
What is the SMILES notation for N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide?
The canonical SMILES for N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide is CC(=O)NCC12CC3(CN)CC(CNC(C)=O)(C1)CC(CNC(C)=O)(C3)C2.
What is the InChIKey of N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide?
The InChIKey is FFHRHELHWTWKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-14(25)22-11-18-4-17(10-21)5-19(7-18,12-23-15(2)26)9-20(6-17,8-18)13-24-16(3)27/h4-13,21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide?
N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(acetamidomethyl)-7-(aminomethyl)-1-adamantyl]methyl]acetamide is sourced from PubChem (CID 59141396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).