N-(1-adamantyl)-2-amino-2-ethylbutanamide

C16H28N2O — CID 79810373

IUPACN-(1-adamantyl)-2-amino-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-3-16(17,4-2)14(19)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10,17H2,1-2H3,(H,18,19)
InChIKeyPHUDJMVCCWSYML-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.59
Rot. Bonds4

About N-(1-adamantyl)-2-amino-2-ethylbutanamide

N-(1-adamantyl)-2-amino-2-ethylbutanamide (PubChem CID 79810373) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2-amino-2-ethylbutanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-amino-2-ethylbutanamide
PubChem CID79810373
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(1-adamantyl)-2-amino-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-3-16(17,4-2)14(19)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10,17H2,1-2H3,(H,18,19)
InChIKeyPHUDJMVCCWSYML-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
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(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide
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CID 101333972
N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
CID 80587740
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CID 4687392
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
CID 119643008
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
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2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
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CID 176801954

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-amino-2-ethylbutanamide?
The IUPAC name of N-(1-adamantyl)-2-amino-2-ethylbutanamide (CID 79810373) is N-(1-adamantyl)-2-amino-2-ethylbutanamide.
What is the SMILES notation for N-(1-adamantyl)-2-amino-2-ethylbutanamide?
The canonical SMILES for N-(1-adamantyl)-2-amino-2-ethylbutanamide is CCC(N)(CC)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-amino-2-ethylbutanamide?
The InChIKey is PHUDJMVCCWSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-16(17,4-2)14(19)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-2-amino-2-ethylbutanamide?
N-(1-adamantyl)-2-amino-2-ethylbutanamide has a molecular weight of 264.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-amino-2-ethylbutanamide is sourced from PubChem (CID 79810373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).