N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide

C19H27N3O4 — CID 21211563

IUPACN-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C19H27N3O4/c1-3-11-26-16-10-9-14(12-17(16)25-4-2)13-20-22-19(24)18(23)21-15-7-5-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,23)(H,22,24)/b20-13+
InChIKeyDPYAXPYNNWPGNC-DEDYPNTBSA-N
MW361.44 g/mol
LogP2.38
Rot. Bonds8

About N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide

N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 21211563) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
PubChem CID21211563
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C19H27N3O4/c1-3-11-26-16-10-9-14(12-17(16)25-4-2)13-20-22-19(24)18(23)21-15-7-5-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,23)(H,22,24)/b20-13+
InChIKeyDPYAXPYNNWPGNC-DEDYPNTBSA-N
XLogP2.38
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 112538633
2-[4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 8990084
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267752
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
1-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 112538617
1-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 110339920
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 3099208
1-cyclohexyl-3-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 3715828
N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126257689
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide (CID 21211563) is N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1OCC.
What is the InChIKey of N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is DPYAXPYNNWPGNC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-11-26-16-10-9-14(12-17(16)25-4-2)13-20-22-19(24)18(23)21-15-7-5-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,23)(H,22,24)/b20-13+.
What are the key properties of N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide?
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 361.44 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 21211563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).