N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide

C18H29NO2 — CID 97080184

IUPACN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c20-10-13-3-1-2-4-16(13)19-18(21)17-14-6-11-5-12(8-14)9-15(17)7-11/h11-17,20H,1-10H2,(H,19,21)/t11?,12?,13-,14?,15?,16+,17?/m0/s1
InChIKeyASBZVWNNPHZCAK-ZNMWDQDHSA-N
MW291.44 g/mol
LogP2.73
Rot. Bonds3

About N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide

N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide (PubChem CID 97080184) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide
PubChem CID97080184
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c20-10-13-3-1-2-4-16(13)19-18(21)17-14-6-11-5-12(8-14)9-15(17)7-11/h11-17,20H,1-10H2,(H,19,21)/t11?,12?,13-,14?,15?,16+,17?/m0/s1
InChIKeyASBZVWNNPHZCAK-ZNMWDQDHSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]adamantane-2-carboxamide
CID 103751548
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
N-(2-chlorocyclopentyl)adamantane-2-carboxamide
CID 106443807
N-(2-bromocyclopentyl)adamantane-2-carboxamide
CID 81095777
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
CID 103811440
2-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 106359251
3-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114178456
(2R)-N-[2-(hydroxymethyl)cyclohexyl]piperidine-2-carboxamide
CID 114178725
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
N-[2-(hydroxymethyl)cyclohexyl]prop-2-ynamide
CID 103860466
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide (CID 97080184) is N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide is O=C(N[C@@H]1CCCC[C@H]1CO)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide?
The InChIKey is ASBZVWNNPHZCAK-ZNMWDQDHSA-N. The full InChI is InChI=1S/C18H29NO2/c20-10-13-3-1-2-4-16(13)19-18(21)17-14-6-11-5-12(8-14)9-15(17)7-11/h11-17,20H,1-10H2,(H,19,21)/t11?,12?,13-,14?,15?,16+,17?/m0/s1.
What are the key properties of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide?
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]adamantane-2-carboxamide is sourced from PubChem (CID 97080184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).