N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide

C17H29NO2 — CID 111483676

IUPACN-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-11(2)16(3,20)10-18-15(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,20H,4-10H2,1-3H3,(H,18,19)
InChIKeyKDSWVUXFNIHIOS-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.73
Rot. Bonds4

About N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide

N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide (PubChem CID 111483676) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
PubChem CID111483676
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NO2/c1-11(2)16(3,20)10-18-15(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,20H,4-10H2,1-3H3,(H,18,19)
InChIKeyKDSWVUXFNIHIOS-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Adamantylacetyl)amino]-3-methylbutanoic acid
CID 3241135
N-[(3,5,7-trimethyl-1-adamantyl)carbonyl]glycine
CID 2961177
2-[(1-Adamantylcarbonyl)amino]-3-methylbutanoic acid
CID 2999992
[(Adamantane-1-carbonyl)-amino]-acetic acid
CID 1538501
N-(2-hydroxyethyl)adamantane-1-carboxamide
CID 1898785
N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
CID 2836014
N-(2-hydroxypropyl)adamantane-1-carboxamide
CID 2926775
3-Methyl-2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]butanoic acid
CID 4070783
3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide
CID 4834141
(3r,5r,7r)-N-(2-cyclopropyl-2-hydroxypropyl)adamantane-1-carboxamide
CID 52992754
(2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoic acid
CID 7106816
N-Isopentyl-1-adamantanecarboxamide
CID 585483

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide (CID 111483676) is N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide is CC(C)C(C)(O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide?
The InChIKey is KDSWVUXFNIHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11(2)16(3,20)10-18-15(19)17-7-12-4-13(8-17)6-14(5-12)9-17/h11-14,20H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide?
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide has a molecular weight of 279.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide is sourced from PubChem (CID 111483676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).