N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide

C16H27N3O2 — CID 75361457

IUPACN-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)CC(N)=O
InChIInChI=1S/C16H27N3O2/c1-10(19(2)9-14(17)20)15(21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h10-13H,3-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyMURCFGHORNTULM-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.88
Rot. Bonds5

About N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide

N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide (PubChem CID 75361457) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
PubChem CID75361457
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)CC(N)=O
InChIInChI=1S/C16H27N3O2/c1-10(19(2)9-14(17)20)15(21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h10-13H,3-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyMURCFGHORNTULM-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049712
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
N-(1-adamantyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 75460448
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
(2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 9347479
(2S)-N-(1-adamantyl)-2-[formyl(methyl)amino]-3-methylbutanamide
CID 134831249
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-methylamino]acetamide
CID 63573846
(2R)-N-(1-adamantylcarbamoyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9348472
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The IUPAC name of N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide (CID 75361457) is N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide.
What is the SMILES notation for N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The canonical SMILES for N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide is CC(C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)CC(N)=O.
What is the InChIKey of N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
The InChIKey is MURCFGHORNTULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(19(2)9-14(17)20)15(21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h10-13H,3-9H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide?
N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide is sourced from PubChem (CID 75361457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).