N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide

C18H24N2O2 — CID 5200465

IUPACN-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O2/c1-22-16-7-14(19)2-3-15(16)20-17(21)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10,19H2,1H3,(H,20,21)
InChIKeyDEFXBPDTXXBFSR-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.43
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide

N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide (PubChem CID 5200465) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
PubChem CID5200465
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O2/c1-22-16-7-14(19)2-3-15(16)20-17(21)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10,19H2,1H3,(H,20,21)
InChIKeyDEFXBPDTXXBFSR-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
CID 110179453
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
(5S,7R)-3-bromo-N-(2,4-dimethoxyphenyl)adamantane-1-carboxamide
CID 7698259
N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
CID 16773628
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 23875300
(5S,7R)-3-bromo-N-(2-methoxyphenyl)adamantane-1-carboxamide
CID 7732999
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 4018470
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
dimethyl 1-[4-(adamantane-1-carbonylamino)-3-methoxyphenyl]-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643345

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide (CID 5200465) is N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide is COc1cc(N)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide?
The InChIKey is DEFXBPDTXXBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-16-7-14(19)2-3-15(16)20-17(21)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10,19H2,1H3,(H,20,21).
What are the key properties of N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide?
N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 5200465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).