N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide

C19H24N2O2 — CID 171137430

IUPACN-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NN=Cc1ccccc1O)(C3)C2
InChIInChI=1S/C19H24N2O2/c1-18-7-13-6-14(8-18)10-19(9-13,12-18)17(23)21-20-11-15-4-2-3-5-16(15)22/h2-5,11,13-14,22H,6-10,12H2,1H3,(H,21,23)
InChIKeyWOKOFDIFVYQBJO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.45
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide

N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide (PubChem CID 171137430) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide
PubChem CID171137430
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide
SMILESCC12CC3CC(C1)CC(C(=O)NN=Cc1ccccc1O)(C3)C2
InChIInChI=1S/C19H24N2O2/c1-18-7-13-6-14(8-18)10-19(9-13,12-18)17(23)21-20-11-15-4-2-3-5-16(15)22/h2-5,11,13-14,22H,6-10,12H2,1H3,(H,21,23)
InChIKeyWOKOFDIFVYQBJO-UHFFFAOYSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510524
3,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]adamantane-1-carboxamide
CID 45022544
3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 110510634
(3R,5S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 135708248
1-N,3-N-bis[(E)-(4-bromophenyl)methylideneamino]adamantane-1,3-dicarboxamide
CID 170444825
N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 171134360
(5S,7S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 136912524
(5S,7R)-N-[(Z)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 136668855
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
(3R,5R)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136856659
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 4662383

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide (CID 171137430) is N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide is CC12CC3CC(C1)CC(C(=O)NN=Cc1ccccc1O)(C3)C2.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide?
The InChIKey is WOKOFDIFVYQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-18-7-13-6-14(8-18)10-19(9-13,12-18)17(23)21-20-11-15-4-2-3-5-16(15)22/h2-5,11,13-14,22H,6-10,12H2,1H3,(H,21,23).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide?
N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide is sourced from PubChem (CID 171137430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).