N-(benzylideneamino)adamantane-1-carboxamide

C18H22N2O — CID 2837531

IUPACN-(benzylideneamino)adamantane-1-carboxamide
SMILESO=C(NN=Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O/c21-17(20-19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,12,14-16H,6-11H2,(H,20,21)
InChIKeyKOALTEXDCASFCU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.35
Rot. Bonds3

About N-(benzylideneamino)adamantane-1-carboxamide

N-(benzylideneamino)adamantane-1-carboxamide (PubChem CID 2837531) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(benzylideneamino)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(benzylideneamino)adamantane-1-carboxamide
PubChem CID2837531
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(benzylideneamino)adamantane-1-carboxamide
SMILESO=C(NN=Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O/c21-17(20-19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,12,14-16H,6-11H2,(H,20,21)
InChIKeyKOALTEXDCASFCU-UHFFFAOYSA-N
XLogP3.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
(3S,6R)-N-[(Z)-(4-nitrophenyl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6990543
1-N,3-N-bis[(E)-(4-bromophenyl)methylideneamino]adamantane-1,3-dicarboxamide
CID 170444825
1-(1-adamantyl)-3-[(Z)-benzylideneamino]thiourea
CID 5387330
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 4675666
N-[(2,2-dichloro-3-phenylcyclopropyl)methylideneamino]adamantane-1-carboxamide
CID 4162172
(3S,6S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 135851423
N-[(2-chloro-6-fluorophenyl)methylideneamino]adamantane-1-carboxamide
CID 4683119
N-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]adamantane-1-carboxamide
CID 3119719
N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide
CID 6025045
N-[(E)-(2-benzyl-3-hydroxy-1-oxoisoquinolin-4-yl)methylideneamino]adamantane-1-carboxamide
CID 135691196
N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide
CID 171137430

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)adamantane-1-carboxamide?
The IUPAC name of N-(benzylideneamino)adamantane-1-carboxamide (CID 2837531) is N-(benzylideneamino)adamantane-1-carboxamide.
What is the SMILES notation for N-(benzylideneamino)adamantane-1-carboxamide?
The canonical SMILES for N-(benzylideneamino)adamantane-1-carboxamide is O=C(NN=Cc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(benzylideneamino)adamantane-1-carboxamide?
The InChIKey is KOALTEXDCASFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-17(20-19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,12,14-16H,6-11H2,(H,20,21).
What are the key properties of N-(benzylideneamino)adamantane-1-carboxamide?
N-(benzylideneamino)adamantane-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)adamantane-1-carboxamide is sourced from PubChem (CID 2837531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).