N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide

C17H25N3O3 — CID 163716487

IUPACN-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
SMILESCOc1ccc(C=NNC(=O)CN(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H25N3O3/c1-20(2)12-17(21)19-18-11-13-8-9-15(22-3)16(10-13)23-14-6-4-5-7-14/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)
InChIKeyKNUZSTHCRMLJQB-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.03
Rot. Bonds7

About N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide

N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide (PubChem CID 163716487) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
PubChem CID163716487
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
SMILESCOc1ccc(C=NNC(=O)CN(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H25N3O3/c1-20(2)12-17(21)19-18-11-13-8-9-15(22-3)16(10-13)23-14-6-4-5-7-14/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)
InChIKeyKNUZSTHCRMLJQB-UHFFFAOYSA-N
XLogP2.03
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.03
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

ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
2-[cyclohexyl(methylsulfonyl)amino]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 124551357
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533377
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide (CID 163716487) is N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide is COc1ccc(C=NNC(=O)CN(C)C)cc1OC1CCCC1.
What is the InChIKey of N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide?
The InChIKey is KNUZSTHCRMLJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(2)12-17(21)19-18-11-13-8-9-15(22-3)16(10-13)23-14-6-4-5-7-14/h8-11,14H,4-7,12H2,1-3H3,(H,19,21).
What are the key properties of N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide?
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide has a molecular weight of 319.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide is sourced from PubChem (CID 163716487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).