N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide

C16H27NO2 — CID 79998676

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
SMILESC[C@H](CO)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-11(7-18)17-13(19)16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h11-12,18H,4-10H2,1-3H3,(H,17,19)/t11-,12?,14?,15?,16?/m1/s1
InChIKeyLRJIQUKIGIQXPP-FFDOZHHFSA-N
MW265.40 g/mol
LogP2.48
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 79998676) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID79998676
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
SMILESC[C@H](CO)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-11(7-18)17-13(19)16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h11-12,18H,4-10H2,1-3H3,(H,17,19)/t11-,12?,14?,15?,16?/m1/s1
InChIKeyLRJIQUKIGIQXPP-FFDOZHHFSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760
N-(4-aminobutan-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 79998668
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80752979
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 103919782
3,5-dimethyl-N-(1-phenylethyl)adamantane-1-carboxamide
CID 112759840
(3R,5R)-3,5-dimethyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide
CID 98357532
3,5-dimethyl-N-[1-(4-propan-2-ylphenyl)propyl]adamantane-1-carboxamide
CID 19580412
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 80718925
N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107318418
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-phenylpropanoic acid
CID 164674091

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide (CID 79998676) is N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide is C[C@H](CO)NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is LRJIQUKIGIQXPP-FFDOZHHFSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(7-18)17-13(19)16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h11-12,18H,4-10H2,1-3H3,(H,17,19)/t11-,12?,14?,15?,16?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 79998676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).