N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide

C14H23NO2 — CID 7106778

IUPACN-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
SMILESC[C@@H](O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-9(16)8-15-13(17)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12,16H,2-8H2,1H3,(H,15,17)/t9-,10?,11?,12?,14?/m1/s1
InChIKeyDLGQXFTYNRGCOX-GVDDXCRBSA-N
MW237.34 g/mol
LogP1.70
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide

N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide (PubChem CID 7106778) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
PubChem CID7106778
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
SMILESC[C@@H](O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2/c1-9(16)8-15-13(17)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12,16H,2-8H2,1H3,(H,15,17)/t9-,10?,11?,12?,14?/m1/s1
InChIKeyDLGQXFTYNRGCOX-GVDDXCRBSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylpropyl)adamantane-1-carboxamide
CID 113275308
N-[2-(diethylamino)propyl]adamantane-1-carboxamide
CID 112502200
2-[(adamantane-1-carbonylamino)methyl]-4-methylpentanoic acid
CID 119252787
N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
CID 76952901
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
CID 7418135
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
(2S)-4-(adamantane-1-carbonylamino)-2-hydroxybutanoic acid
CID 107833881
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide (CID 7106778) is N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide is C[C@@H](O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide?
The InChIKey is DLGQXFTYNRGCOX-GVDDXCRBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(16)8-15-13(17)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12,16H,2-8H2,1H3,(H,15,17)/t9-,10?,11?,12?,14?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide?
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide is sourced from PubChem (CID 7106778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).