N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C22H26N4O4 — CID 126257777

IUPACN-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C22H26N4O4/c1-4-16(3)24-21(28)22(29)26-23-13-17-9-5-6-11-19(17)30-14-20(27)25-18-10-7-8-15(2)12-18/h5-13,16H,4,14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/b23-13-/t16-/m1/s1
InChIKeyPYBQCFFTAAWOKD-GEWRUKCFSA-N
MW410.47 g/mol
LogP2.38
Rot. Bonds8

About N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126257777) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126257777
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCC[C@@H](C)NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C22H26N4O4/c1-4-16(3)24-21(28)22(29)26-23-13-17-9-5-6-11-19(17)30-14-20(27)25-18-10-7-8-15(2)12-18/h5-13,16H,4,14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/b23-13-/t16-/m1/s1
InChIKeyPYBQCFFTAAWOKD-GEWRUKCFSA-N
XLogP2.38
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175885
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-[(2S)-butan-2-yl]oxamide
CID 126274900
N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126271817
N'-[(Z)-[5-bromo-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(2S)-butan-2-yl]oxamide
CID 126255066
N'-[(Z)-[5-bromo-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(2R)-butan-2-yl]oxamide
CID 126255065
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988811
N'-[(Z)-[5-bromo-2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(2S)-butan-2-yl]oxamide
CID 126268636
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173978
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159885
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126271021
N'-[(Z)-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 126159296

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126257777) is N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is CC[C@@H](C)NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is PYBQCFFTAAWOKD-GEWRUKCFSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-4-16(3)24-21(28)22(29)26-23-13-17-9-5-6-11-19(17)30-14-20(27)25-18-10-7-8-15(2)12-18/h5-13,16H,4,14H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)/b23-13-/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 410.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126257777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).