N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide

C16H23N3O2 — CID 95167799

IUPACN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
SMILESCC[C@H](C)N(C)CCNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O2/c1-4-13(2)19(3)10-9-18-16(20)12-21-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyWHRVKCLTHJRIIT-ZDUSSCGKSA-N
MW289.38 g/mol
LogP1.78
Rot. Bonds8

About N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide

N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide (PubChem CID 95167799) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
PubChem CID95167799
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
SMILESCC[C@H](C)N(C)CCNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O2/c1-4-13(2)19(3)10-9-18-16(20)12-21-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyWHRVKCLTHJRIIT-ZDUSSCGKSA-N
XLogP1.78
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(2-chlorophenoxy)acetamide
CID 95167827
2-(4-cyanophenoxy)-N-(2-sulfamoylethyl)acetamide
CID 43552443
2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065617
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140972

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide (CID 95167799) is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide is CC[C@H](C)N(C)CCNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide?
The InChIKey is WHRVKCLTHJRIIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-13(2)19(3)10-9-18-16(20)12-21-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide?
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 95167799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).