N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide

C18H31NO2 — CID 115700827

IUPACN-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCCCC(O)CNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-4-5-14(20)9-19-15(21)18-8-13-6-16(2,11-18)10-17(3,7-13)12-18/h13-14,20H,4-12H2,1-3H3,(H,19,21)
InChIKeySUVIWISGWCUCDZ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.26
Rot. Bonds5

About N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide

N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 115700827) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID115700827
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCCCC(O)CNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H31NO2/c1-4-5-14(20)9-19-15(21)18-8-13-6-16(2,11-18)10-17(3,7-13)12-18/h13-14,20H,4-12H2,1-3H3,(H,19,21)
InChIKeySUVIWISGWCUCDZ-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 103919782
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648
(3R,5S)-3,5-dimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 97170508
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 80718925
N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107318418
N-(3-chloro-2,2-dimethylpropyl)-3,5-dimethyladamantane-1-carboxamide
CID 115364559
N-(4-aminobutan-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 79998668
3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride
CID 119430118
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide (CID 115700827) is N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide is CCCC(O)CNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is SUVIWISGWCUCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-5-14(20)9-19-15(21)18-8-13-6-16(2,11-18)10-17(3,7-13)12-18/h13-14,20H,4-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide?
N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 115700827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).