N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide

C20H22N4O4 — CID 3131651

IUPACN'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESNC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H22N4O4/c21-18(25)14-28-17-8-6-16(7-9-17)13-23-24-20(27)12-19(26)22-11-10-15-4-2-1-3-5-15/h1-9,13H,10-12,14H2,(H2,21,25)(H,22,26)(H,24,27)
InChIKeyVUFZCJPJUSJCOT-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.75
Rot. Bonds10

About N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide

N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide (PubChem CID 3131651) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
PubChem CID3131651
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESNC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H22N4O4/c21-18(25)14-28-17-8-6-16(7-9-17)13-23-24-20(27)12-19(26)22-11-10-15-4-2-1-3-5-15/h1-9,13H,10-12,14H2,(H2,21,25)(H,22,26)(H,24,27)
InChIKeyVUFZCJPJUSJCOT-UHFFFAOYSA-N
XLogP0.75
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.75
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

N'-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 94832214
N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
CID 3102448
4-[[[3-oxo-3-(2-phenylethylamino)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 2254790
2-[4-[[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 1354200
N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832328
N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide
CID 94863681
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 23723111
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]propanediamide
CID 94832225
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126158955

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide (CID 3131651) is N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide is NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide?
The InChIKey is VUFZCJPJUSJCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c21-18(25)14-28-17-8-6-16(7-9-17)13-23-24-20(27)12-19(26)22-11-10-15-4-2-1-3-5-15/h1-9,13H,10-12,14H2,(H2,21,25)(H,22,26)(H,24,27).
What are the key properties of N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide?
N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide has a molecular weight of 382.42 g/mol, XLogP of 0.75, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 3131651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).