N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide

C15H25NO2 — CID 113402760

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
SMILESC[C@H](CO)NC(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-10(8-17)16-13(18)15-6-11-3-12(7-15)5-14(2,4-11)9-15/h10-12,17H,3-9H2,1-2H3,(H,16,18)/t10-,11?,12?,14?,15?/m1/s1
InChIKeyIHSLVKFLHIUAOT-NAJBLILTSA-N
MW251.37 g/mol
LogP2.09
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide (PubChem CID 113402760) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
PubChem CID113402760
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
SMILESC[C@H](CO)NC(=O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-10(8-17)16-13(18)15-6-11-3-12(7-15)5-14(2,4-11)9-15/h10-12,17H,3-9H2,1-2H3,(H,16,18)/t10-,11?,12?,14?,15?/m1/s1
InChIKeyIHSLVKFLHIUAOT-NAJBLILTSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 79998676
2-[(3-methyladamantane-1-carbonyl)amino]propanoic acid
CID 113402725
N-(1-chloro-4-methylpentan-3-yl)-3-methyladamantane-1-carboxamide
CID 106354648
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-(1-chloro-3-methoxypropan-2-yl)-3-methyladamantane-1-carboxamide
CID 106182954
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
N-(2-chlorocyclopentyl)-3-methyladamantane-1-carboxamide
CID 106444137
N-(6-bromohexyl)-3-methyladamantane-1-carboxamide
CID 107847738
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide (CID 113402760) is N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide is C[C@H](CO)NC(=O)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide?
The InChIKey is IHSLVKFLHIUAOT-NAJBLILTSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(8-17)16-13(18)15-6-11-3-12(7-15)5-14(2,4-11)9-15/h10-12,17H,3-9H2,1-2H3,(H,16,18)/t10-,11?,12?,14?,15?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.09, 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-methyladamantane-1-carboxamide is sourced from PubChem (CID 113402760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).