N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide

C27H28N4O5 — CID 11838881

IUPACN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide
SMILESCc1ccccc1OCC(=O)NC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C27H28N4O5/c1-19-8-6-7-11-24(19)36-18-25(32)29-20(2)27(34)31-28-16-21-12-14-23(15-13-21)35-17-26(33)30-22-9-4-3-5-10-22/h3-16,20H,17-18H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/b28-16+
InChIKeyUHIGPNWMZZUNIN-LQKURTRISA-N
MW488.54 g/mol
LogP3.05
Rot. Bonds11

About N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide

N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide (PubChem CID 11838881) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide
PubChem CID11838881
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide
SMILESCc1ccccc1OCC(=O)NC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C27H28N4O5/c1-19-8-6-7-11-24(19)36-18-25(32)29-20(2)27(34)31-28-16-21-12-14-23(15-13-21)35-17-26(33)30-22-9-4-3-5-10-22/h3-16,20H,17-18H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/b28-16+
InChIKeyUHIGPNWMZZUNIN-LQKURTRISA-N
XLogP3.05
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
CID 94833201
N-(3-chlorophenyl)-2-[4-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 6876847
N-(3-chlorophenyl)-2-[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5429335
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833111
N-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833202
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071
2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
CID 10526552
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanamide
CID 4230804

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide (CID 11838881) is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide is Cc1ccccc1OCC(=O)NC(C)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide?
The InChIKey is UHIGPNWMZZUNIN-LQKURTRISA-N. The full InChI is InChI=1S/C27H28N4O5/c1-19-8-6-7-11-24(19)36-18-25(32)29-20(2)27(34)31-28-16-21-12-14-23(15-13-21)35-17-26(33)30-22-9-4-3-5-10-22/h3-16,20H,17-18H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/b28-16+.
What are the key properties of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide?
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide has a molecular weight of 488.54 g/mol, XLogP of 3.05, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 11838881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).