N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane

C21H30N2O4 — CID 158933616

IUPACN-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane
SMILESC.CC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)NO)cc1O
InChIInChI=1S/C20H26N2O4.CH4/c1-11(16-3-2-15(7-17(16)23)18(24)22-26)21-19(25)20-8-12-4-13(9-20)6-14(5-12)10-20;/h2-3,7,11-14,23,26H,4-6,8-10H2,1H3,(H,21,25)(H,22,24);1H4
InChIKeyJJJJHQWUXKMRSF-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.54
Rot. Bonds4

About N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane

N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane (PubChem CID 158933616) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane.

Molecular Properties

Compound NameN-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane
PubChem CID158933616
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane
SMILESC.CC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)NO)cc1O
InChIInChI=1S/C20H26N2O4.CH4/c1-11(16-3-2-15(7-17(16)23)18(24)22-26)21-19(25)20-8-12-4-13(9-20)6-14(5-12)10-20;/h2-3,7,11-14,23,26H,4-6,8-10H2,1H3,(H,21,25)(H,22,24);1H4
InChIKeyJJJJHQWUXKMRSF-UHFFFAOYSA-N
XLogP3.54
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide
CID 90416731
N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
CID 87384200
N-[(2S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9206826
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]adamantane-1-carboxamide
CID 7462613
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
N-[1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 17478620
(5S,7R)-3-bromo-N-[(1S)-1-(2,4-difluorophenyl)ethyl]adamantane-1-carboxamide
CID 8893926
N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787602
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate
CID 40896819

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane?
The IUPAC name of N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane (CID 158933616) is N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane.
What is the SMILES notation for N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane?
The canonical SMILES for N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane is C.CC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)NO)cc1O.
What is the InChIKey of N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane?
The InChIKey is JJJJHQWUXKMRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.CH4/c1-11(16-3-2-15(7-17(16)23)18(24)22-26)21-19(25)20-8-12-4-13(9-20)6-14(5-12)10-20;/h2-3,7,11-14,23,26H,4-6,8-10H2,1H3,(H,21,25)(H,22,24);1H4.
What are the key properties of N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane?
N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane has a molecular weight of 374.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane is sourced from PubChem (CID 158933616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).