N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide

C19H21N3O3 — CID 7658895

IUPACN'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14(2)21-18(23)19(24)22-20-12-15-8-10-17(11-9-15)25-13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)/b20-12-
InChIKeyIQERHFXDGWRWTF-NDENLUEZSA-N
MW339.40 g/mol
LogP2.24
Rot. Bonds6

About N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 7658895) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
PubChem CID7658895
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-14(2)21-18(23)19(24)22-20-12-15-8-10-17(11-9-15)25-13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)/b20-12-
InChIKeyIQERHFXDGWRWTF-NDENLUEZSA-N
XLogP2.24
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6176038
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide (CID 7658895) is N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is IQERHFXDGWRWTF-NDENLUEZSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14(2)21-18(23)19(24)22-20-12-15-8-10-17(11-9-15)25-13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,21,23)(H,22,24)/b20-12-.
What are the key properties of N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 339.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 7658895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).