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

C25H32N4O6 — CID 126264857

IUPACN'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C25H32N4O6/c1-18(2)34-13-7-12-26-24(31)25(32)29-28-16-20-10-11-21(22(14-20)33-3)35-17-23(30)27-15-19-8-5-4-6-9-19/h4-6,8-11,14,16,18H,7,12-13,15,17H2,1-3H3,(H,26,31)(H,27,30)(H,29,32)/b28-16-
InChIKeyYXALMLCVKCNBRB-NTFVMDSBSA-N
MW484.55 g/mol
LogP1.77
Rot. Bonds13

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

N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 126264857) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID126264857
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC NameN'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C25H32N4O6/c1-18(2)34-13-7-12-26-24(31)25(32)29-28-16-20-10-11-21(22(14-20)33-3)35-17-23(30)27-15-19-8-5-4-6-9-19/h4-6,8-11,14,16,18H,7,12-13,15,17H2,1-3H3,(H,26,31)(H,27,30)(H,29,32)/b28-16-
InChIKeyYXALMLCVKCNBRB-NTFVMDSBSA-N
XLogP1.77
TPSA127.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 51.77
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'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 17202214
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126177562
N-benzyl-N'-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160542
N-benzyl-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126163320
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126253676
N-benzyl-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 57365590
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126177103
N'-[(Z)-[3-bromo-4-[2-(2-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126167969
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 8990254
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126165535
N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126157404
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 126266252

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide (CID 126264857) is N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is COc1cc(/C=N\NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is YXALMLCVKCNBRB-NTFVMDSBSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-18(2)34-13-7-12-26-24(31)25(32)29-28-16-20-10-11-21(22(14-20)33-3)35-17-23(30)27-15-19-8-5-4-6-9-19/h4-6,8-11,14,16,18H,7,12-13,15,17H2,1-3H3,(H,26,31)(H,27,30)(H,29,32)/b28-16-.
What are the key properties of N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 484.55 g/mol, XLogP of 1.77, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 126264857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).