N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide

C18H19N3O3 — CID 136861998

IUPACN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
SMILESCc1ccccc1NC(=O)CCC(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C18H19N3O3/c1-13-6-2-4-8-15(13)20-17(23)10-11-18(24)21-19-12-14-7-3-5-9-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12-
InChIKeyFAOIUMMQVLOWRB-UNOMPAQXSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds6

About N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide

N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide (PubChem CID 136861998) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
PubChem CID136861998
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
SMILESCc1ccccc1NC(=O)CCC(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C18H19N3O3/c1-13-6-2-4-8-15(13)20-17(23)10-11-18(24)21-19-12-14-7-3-5-9-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12-
InChIKeyFAOIUMMQVLOWRB-UNOMPAQXSA-N
XLogP2.57
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 3656052
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 135716444
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
The IUPAC name of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide (CID 136861998) is N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
The canonical SMILES for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide is Cc1ccccc1NC(=O)CCC(=O)N/N=C\c1ccccc1O.
What is the InChIKey of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
The InChIKey is FAOIUMMQVLOWRB-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-6-2-4-8-15(13)20-17(23)10-11-18(24)21-19-12-14-7-3-5-9-16(14)22/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)/b19-12-.
What are the key properties of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide has a molecular weight of 325.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide is sourced from PubChem (CID 136861998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).