N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide

C17H26N2O3 — CID 110506843

IUPACN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(OC(C)C)c(OCC)c1
InChIInChI=1S/C17H26N2O3/c1-5-7-8-17(20)19-18-12-14-9-10-15(22-13(3)4)16(11-14)21-6-2/h9-13H,5-8H2,1-4H3,(H,19,20)/b18-12+
InChIKeyJAGWBCOAWBCQBA-LDADJPATSA-N
MW306.41 g/mol
LogP3.51
Rot. Bonds9

About N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide

N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide (PubChem CID 110506843) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
PubChem CID110506843
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(OC(C)C)c(OCC)c1
InChIInChI=1S/C17H26N2O3/c1-5-7-8-17(20)19-18-12-14-9-10-15(22-13(3)4)16(11-14)21-6-2/h9-13H,5-8H2,1-4H3,(H,19,20)/b18-12+
InChIKeyJAGWBCOAWBCQBA-LDADJPATSA-N
XLogP3.51
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 4272278
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide
CID 110506895
N-(2,3-dimethylphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 3901107
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]pentanamide
CID 110506813
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538029
1-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-prop-2-enylthiourea
CID 110341327

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide (CID 110506843) is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1ccc(OC(C)C)c(OCC)c1.
What is the InChIKey of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide?
The InChIKey is JAGWBCOAWBCQBA-LDADJPATSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-7-8-17(20)19-18-12-14-9-10-15(22-13(3)4)16(11-14)21-6-2/h9-13H,5-8H2,1-4H3,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide?
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide has a molecular weight of 306.41 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 110506843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).