N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide

C19H25NO4 — CID 4018470

IUPACN-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(O)c1OC
InChIInChI=1S/C19H25NO4/c1-23-16-7-14(6-15(21)17(16)24-2)20-18(22)19-8-11-3-12(9-19)5-13(4-11)10-19/h6-7,11-13,21H,3-5,8-10H2,1-2H3,(H,20,22)
InChIKeyXZWDWPNRWNSFDI-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.56
Rot. Bonds4

About N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide

N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide (PubChem CID 4018470) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide
PubChem CID4018470
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(O)c1OC
InChIInChI=1S/C19H25NO4/c1-23-16-7-14(6-15(21)17(16)24-2)20-18(22)19-8-11-3-12(9-19)5-13(4-11)10-19/h6-7,11-13,21H,3-5,8-10H2,1-2H3,(H,20,22)
InChIKeyXZWDWPNRWNSFDI-UHFFFAOYSA-N
XLogP3.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
CID 110179453
N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide
CID 122301516
N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
CID 5200465
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 33126209
N-[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2922181
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
CID 31340572
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide (CID 4018470) is N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide is COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(O)c1OC.
What is the InChIKey of N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide?
The InChIKey is XZWDWPNRWNSFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-23-16-7-14(6-15(21)17(16)24-2)20-18(22)19-8-11-3-12(9-19)5-13(4-11)10-19/h6-7,11-13,21H,3-5,8-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide?
N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 4018470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).