N-(3-hydroxyphenyl)adamantane-1-carboxamide

C17H21NO2 — CID 4623893

IUPACN-(3-hydroxyphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccc(O)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21NO2/c19-15-3-1-2-14(7-15)18-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,19H,4-6,8-10H2,(H,18,20)
InChIKeyUFHHFCPZCGMWGO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.55
Rot. Bonds2

About N-(3-hydroxyphenyl)adamantane-1-carboxamide

N-(3-hydroxyphenyl)adamantane-1-carboxamide (PubChem CID 4623893) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)adamantane-1-carboxamide
PubChem CID4623893
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(3-hydroxyphenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccc(O)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21NO2/c19-15-3-1-2-14(7-15)18-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,19H,4-6,8-10H2,(H,18,20)
InChIKeyUFHHFCPZCGMWGO-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanophenyl)adamantane-1-carboxamide
CID 7788359
N-(3-isocyanatophenyl)adamantane-1-carboxamide
CID 169353747
N-[3-(1-adamantylmethyl)phenyl]adamantane-1-carboxamide
CID 171577019
N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
CID 3146003
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
N-[3-(1-acetamidoethyl)phenyl]adamantane-1-carboxamide
CID 16762867
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
N-[3-(dicyclohexylamino)phenyl]adamantane-1-carboxamide
CID 171576970
N-(3-hexoxyphenyl)adamantane-1-carboxamide
CID 54787334
N-(3-amino-4-chlorophenyl)adamantane-1-carboxamide
CID 16772902
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
CID 104779359
N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
CID 2862065

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)adamantane-1-carboxamide (CID 4623893) is N-(3-hydroxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)adamantane-1-carboxamide is O=C(Nc1cccc(O)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-hydroxyphenyl)adamantane-1-carboxamide?
The InChIKey is UFHHFCPZCGMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-15-3-1-2-14(7-15)18-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,19H,4-6,8-10H2,(H,18,20).
What are the key properties of N-(3-hydroxyphenyl)adamantane-1-carboxamide?
N-(3-hydroxyphenyl)adamantane-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 4623893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).