N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide

C18H20N2O3 — CID 9215609

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-16-10-8-14(9-11-16)18(21)20-19-12-15-6-4-5-7-17(15)22-3/h4-13H,1-3H3,(H,20,21)/b19-12-
InChIKeyDTOKCFZNSIDYEL-UNOMPAQXSA-N
MW312.37 g/mol
LogP3.25
Rot. Bonds6

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215609) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215609
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-16-10-8-14(9-11-16)18(21)20-19-12-15-6-4-5-7-17(15)22-3/h4-13H,1-3H3,(H,20,21)/b19-12-
InChIKeyDTOKCFZNSIDYEL-UNOMPAQXSA-N
XLogP3.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9215631
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9215630
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide (CID 9215609) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide is COc1ccccc1/C=N\NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is DTOKCFZNSIDYEL-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(2)23-16-10-8-14(9-11-16)18(21)20-19-12-15-6-4-5-7-17(15)22-3/h4-13H,1-3H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).