N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

C26H34N4O6 — CID 17202214

IUPACN'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C26H34N4O6/c1-4-34-23-15-21(17-29-30-26(33)25(32)27-13-8-14-35-19(2)3)11-12-22(23)36-18-24(31)28-16-20-9-6-5-7-10-20/h5-7,9-12,15,17,19H,4,8,13-14,16,18H2,1-3H3,(H,27,32)(H,28,31)(H,30,33)/b29-17+
InChIKeyIBAWMKRFNPYEKW-STBIYBPSSA-N
MW498.58 g/mol
LogP2.16
Rot. Bonds14

About N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide

N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 17202214) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID17202214
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC NameN'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C26H34N4O6/c1-4-34-23-15-21(17-29-30-26(33)25(32)27-13-8-14-35-19(2)3)11-12-22(23)36-18-24(31)28-16-20-9-6-5-7-10-20/h5-7,9-12,15,17,19H,4,8,13-14,16,18H2,1-3H3,(H,27,32)(H,28,31)(H,30,33)/b29-17+
InChIKeyIBAWMKRFNPYEKW-STBIYBPSSA-N
XLogP2.16
TPSA127.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126264857
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126253676
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126266252
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
N'-[(Z)-[3-chloro-5-ethoxy-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126168058
N-benzyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126165638
N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126156653
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 8990254
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126169635
N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931692
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
N'-[(Z)-[3-ethoxy-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126181916

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (CID 17202214) is N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is IBAWMKRFNPYEKW-STBIYBPSSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-4-34-23-15-21(17-29-30-26(33)25(32)27-13-8-14-35-19(2)3)11-12-22(23)36-18-24(31)28-16-20-9-6-5-7-10-20/h5-7,9-12,15,17,19H,4,8,13-14,16,18H2,1-3H3,(H,27,32)(H,28,31)(H,30,33)/b29-17+.
What are the key properties of N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 498.58 g/mol, XLogP of 2.16, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 17202214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).