N-(2,3-dihydroxypropyl)adamantane-2-carboxamide

C14H23NO3 — CID 81096560

IUPACN-(2,3-dihydroxypropyl)adamantane-2-carboxamide
SMILESO=C(NCC(O)CO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO3/c16-7-12(17)6-15-14(18)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13,16-17H,1-7H2,(H,15,18)
InChIKeyLJVPOTMCMWYKLC-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.53
Rot. Bonds4

About N-(2,3-dihydroxypropyl)adamantane-2-carboxamide

N-(2,3-dihydroxypropyl)adamantane-2-carboxamide (PubChem CID 81096560) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)adamantane-2-carboxamide
PubChem CID81096560
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(2,3-dihydroxypropyl)adamantane-2-carboxamide
SMILESO=C(NCC(O)CO)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO3/c16-7-12(17)6-15-14(18)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13,16-17H,1-7H2,(H,15,18)
InChIKeyLJVPOTMCMWYKLC-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)adamantane-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)adamantane-2-carboxamide (CID 81096560) is N-(2,3-dihydroxypropyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)adamantane-2-carboxamide is O=C(NCC(O)CO)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2,3-dihydroxypropyl)adamantane-2-carboxamide?
The InChIKey is LJVPOTMCMWYKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-7-12(17)6-15-14(18)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13,16-17H,1-7H2,(H,15,18).
What are the key properties of N-(2,3-dihydroxypropyl)adamantane-2-carboxamide?
N-(2,3-dihydroxypropyl)adamantane-2-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)adamantane-2-carboxamide is sourced from PubChem (CID 81096560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).