N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide

C14H23NO3 — CID 65315657

IUPACN-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
SMILESO=C(NC(CO)CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO3/c16-7-12(8-17)15-13(18)14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12,16-17H,1-8H2,(H,15,18)
InChIKeyHHQHQOSFWXLSGW-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.67
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide

N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide (PubChem CID 65315657) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
PubChem CID65315657
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
SMILESO=C(NC(CO)CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO3/c16-7-12(8-17)15-13(18)14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12,16-17H,1-8H2,(H,15,18)
InChIKeyHHQHQOSFWXLSGW-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555
N-(1-aminobutan-2-yl)adamantane-1-carboxamide
CID 63754089
N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
CID 7418135
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
(2S)-2-(adamantane-1-carbonylamino)butanoic acid
CID 7128727
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
CID 76947751
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyladamantane-1-carboxamide
CID 103919782
N-(1-cyanopropan-2-yl)adamantane-1-carboxamide
CID 55032517
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide (CID 65315657) is N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide is O=C(NC(CO)CO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide?
The InChIKey is HHQHQOSFWXLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-7-12(8-17)15-13(18)14-4-9-1-10(5-14)3-11(2-9)6-14/h9-12,16-17H,1-8H2,(H,15,18).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide?
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 65315657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).