N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide

C15H21N3O2 — CID 61026918

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NC(C)(C#N)C(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)15(3,10-16)18-14(19)9-20-13-7-5-12(17-4)6-8-13/h5-8,11,17H,9H2,1-4H3,(H,18,19)
InChIKeyCFEJDDQULWQFBV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.16
Rot. Bonds6

About N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 61026918) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
PubChem CID61026918
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NC(C)(C#N)C(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)15(3,10-16)18-14(19)9-20-13-7-5-12(17-4)6-8-13/h5-8,11,17H,9H2,1-4H3,(H,18,19)
InChIKeyCFEJDDQULWQFBV-UHFFFAOYSA-N
XLogP2.16
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464
4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7931335
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8604749
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42974356
2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 15457237
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983637

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide (CID 61026918) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide is CNc1ccc(OCC(=O)NC(C)(C#N)C(C)C)cc1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is CFEJDDQULWQFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)15(3,10-16)18-14(19)9-20-13-7-5-12(17-4)6-8-13/h5-8,11,17H,9H2,1-4H3,(H,18,19).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 61026918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).