N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide

C15H21N3O2 — CID 60883645

IUPACN-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide
SMILESCCNC(C)c1cccc(OCC(=O)NCCC#N)c1
InChIInChI=1S/C15H21N3O2/c1-3-17-12(2)13-6-4-7-14(10-13)20-11-15(19)18-9-5-8-16/h4,6-7,10,12,17H,3,5,9,11H2,1-2H3,(H,18,19)
InChIKeyHCGHGCSCCBVOJO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds8

About N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide

N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide (PubChem CID 60883645) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide
PubChem CID60883645
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide
SMILESCCNC(C)c1cccc(OCC(=O)NCCC#N)c1
InChIInChI=1S/C15H21N3O2/c1-3-17-12(2)13-6-4-7-14(10-13)20-11-15(19)18-9-5-8-16/h4,6-7,10,12,17H,3,5,9,11H2,1-2H3,(H,18,19)
InChIKeyHCGHGCSCCBVOJO-UHFFFAOYSA-N
XLogP1.77
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649
2-[3-[(tert-butylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 63055877
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63365692
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-(2-cyanoethyl)-2-(3-formylphenoxy)acetamide
CID 24700275
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78933215
2-[1-(3-chlorophenyl)ethylamino]-N-(2-cyanoethyl)acetamide
CID 60694877
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide (CID 60883645) is N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide is CCNC(C)c1cccc(OCC(=O)NCCC#N)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide?
The InChIKey is HCGHGCSCCBVOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17-12(2)13-6-4-7-14(10-13)20-11-15(19)18-9-5-8-16/h4,6-7,10,12,17H,3,5,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide?
N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 60883645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).