N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide

C20H26N4O2 — CID 50854108

IUPACN-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
SMILESCN(C)c1cccc(OCC(=O)N/N=C/c2ccn(C3CCCC3)c2)c1
InChIInChI=1S/C20H26N4O2/c1-23(2)18-8-5-9-19(12-18)26-15-20(25)22-21-13-16-10-11-24(14-16)17-6-3-4-7-17/h5,8-14,17H,3-4,6-7,15H2,1-2H3,(H,22,25)/b21-13+
InChIKeyVSFZPZRNQNUABS-FYJGNVAPSA-N
MW354.45 g/mol
LogP3.20
Rot. Bonds7

About N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide

N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide (PubChem CID 50854108) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
PubChem CID50854108
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
SMILESCN(C)c1cccc(OCC(=O)N/N=C/c2ccn(C3CCCC3)c2)c1
InChIInChI=1S/C20H26N4O2/c1-23(2)18-8-5-9-19(12-18)26-15-20(25)22-21-13-16-10-11-24(14-16)17-6-3-4-7-17/h5,8-14,17H,3-4,6-7,15H2,1-2H3,(H,22,25)/b21-13+
InChIKeyVSFZPZRNQNUABS-FYJGNVAPSA-N
XLogP3.20
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854100
2-(3-chlorophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854147
2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
CID 50854027
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
CID 50854394
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50854136
2-[3-(dimethylamino)phenoxy]-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137080274
2-[3-(dimethylamino)phenoxy]-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 4234237
2-[3-(dimethylamino)phenoxy]-N-[(E)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 124553498
3-[2-[(E)-[[2-[3-(dimethylamino)phenoxy]acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126106901
4-[[4-[(E)-[[2-[3-(dimethylamino)phenoxy]acetyl]hydrazinylidene]methyl]-2,6-diiodophenoxy]methyl]benzoic acid
CID 126005757
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide?
The IUPAC name of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide (CID 50854108) is N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide?
The canonical SMILES for N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide is CN(C)c1cccc(OCC(=O)N/N=C/c2ccn(C3CCCC3)c2)c1.
What is the InChIKey of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide?
The InChIKey is VSFZPZRNQNUABS-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(2)18-8-5-9-19(12-18)26-15-20(25)22-21-13-16-10-11-24(14-16)17-6-3-4-7-17/h5,8-14,17H,3-4,6-7,15H2,1-2H3,(H,22,25)/b21-13+.
What are the key properties of N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide?
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide is sourced from PubChem (CID 50854108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).