N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide

C15H20N4O4 — CID 94863681

IUPACN'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N4O4/c1-10(2)18-14(21)7-15(22)19-17-8-11-3-5-12(6-4-11)23-9-13(16)20/h3-6,8,10H,7,9H2,1-2H3,(H2,16,20)(H,18,21)(H,19,22)/b17-8+
InChIKeyDOAVEOCOYFMPDF-CAOOACKPSA-N
MW320.35 g/mol
LogP-0.08
Rot. Bonds8

About N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide

N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide (PubChem CID 94863681) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide
PubChem CID94863681
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide
SMILESCC(C)NC(=O)CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H20N4O4/c1-10(2)18-14(21)7-15(22)19-17-8-11-3-5-12(6-4-11)23-9-13(16)20/h3-6,8,10H,7,9H2,1-2H3,(H2,16,20)(H,18,21)(H,19,22)/b17-8+
InChIKeyDOAVEOCOYFMPDF-CAOOACKPSA-N
XLogP-0.08
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
N'-[(4-fluorophenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 2251149
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]propanediamide
CID 94832225
3,4-dimethoxy-N-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 94833106
N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 3131651
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
3-(4-methylphenyl)sulfanyl-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]propanamide
CID 126122043
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
2-[4-[(Z)-[[2-(9H-fluoren-9-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]-N-propan-2-ylacetamide
CID 6280531
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide?
The IUPAC name of N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide (CID 94863681) is N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide.
What is the SMILES notation for N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide?
The canonical SMILES for N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide is CC(C)NC(=O)CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1.
What is the InChIKey of N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide?
The InChIKey is DOAVEOCOYFMPDF-CAOOACKPSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10(2)18-14(21)7-15(22)19-17-8-11-3-5-12(6-4-11)23-9-13(16)20/h3-6,8,10H,7,9H2,1-2H3,(H2,16,20)(H,18,21)(H,19,22)/b17-8+.
What are the key properties of N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide?
N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide has a molecular weight of 320.35 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide is sourced from PubChem (CID 94863681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).