N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide

C15H21N3O2 — CID 18124582

IUPACN-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
SMILESCc1ccc(OCCN(C)CC(=O)NCCC#N)cc1
InChIInChI=1S/C15H21N3O2/c1-13-4-6-14(7-5-13)20-11-10-18(2)12-15(19)17-9-3-8-16/h4-7H,3,9-12H2,1-2H3,(H,17,19)
InChIKeyMVDDJPDFEHONNV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.34
Rot. Bonds8

About N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide

N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide (PubChem CID 18124582) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
PubChem CID18124582
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
SMILESCc1ccc(OCCN(C)CC(=O)NCCC#N)cc1
InChIInChI=1S/C15H21N3O2/c1-13-4-6-14(7-5-13)20-11-10-18(2)12-15(19)17-9-3-8-16/h4-7H,3,9-12H2,1-2H3,(H,17,19)
InChIKeyMVDDJPDFEHONNV-UHFFFAOYSA-N
XLogP1.34
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-cyanoethylamino)-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147727
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374872
N-[(2-methoxyphenyl)methyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 41416179
N-cyclohexyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429189
N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429400
N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 87013061
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24534552
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
N-(2-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429305
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide (CID 18124582) is N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide is Cc1ccc(OCCN(C)CC(=O)NCCC#N)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The InChIKey is MVDDJPDFEHONNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-13-4-6-14(7-5-13)20-11-10-18(2)12-15(19)17-9-3-8-16/h4-7H,3,9-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 18124582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).