4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide

C20H29N3O3 — CID 55713088

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C20H29N3O3/c1-23(2)20(10-4-5-11-20)15-22-19(24)7-6-12-26-17-9-8-16(14-21)13-18(17)25-3/h8-9,13H,4-7,10-12,15H2,1-3H3,(H,22,24)
InChIKeyAUKRAGFWFIBULW-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.72
Rot. Bonds9

About 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide (PubChem CID 55713088) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
PubChem CID55713088
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C20H29N3O3/c1-23(2)20(10-4-5-11-20)15-22-19(24)7-6-12-26-17-9-8-16(14-21)13-18(17)25-3/h8-9,13H,4-7,10-12,15H2,1-3H3,(H,22,24)
InChIKeyAUKRAGFWFIBULW-UHFFFAOYSA-N
XLogP2.72
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46469598
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46472197
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 78876024
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55760950
4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide
CID 46470544
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide (CID 55713088) is 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
The InChIKey is AUKRAGFWFIBULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-23(2)20(10-4-5-11-20)15-22-19(24)7-6-12-26-17-9-8-16(14-21)13-18(17)25-3/h8-9,13H,4-7,10-12,15H2,1-3H3,(H,22,24).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide has a molecular weight of 359.47 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide is sourced from PubChem (CID 55713088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).