(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide

C16H21FN2O2 — CID 100971737

IUPAC(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
SMILESC[C@@H](COc1cccc(F)c1)NC(=O)[C@@H](C#N)C(C)(C)C
InChIInChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-6-12(17)8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11-,14+/m0/s1
InChIKeyUFAYYMNIGDXDIT-SMDDNHRTSA-N
MW292.35 g/mol
LogP2.90
Rot. Bonds5

About (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide

(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide (PubChem CID 100971737) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
PubChem CID100971737
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
SMILESC[C@@H](COc1cccc(F)c1)NC(=O)[C@@H](C#N)C(C)(C)C
InChIInChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-6-12(17)8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11-,14+/m0/s1
InChIKeyUFAYYMNIGDXDIT-SMDDNHRTSA-N
XLogP2.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide 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

propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 141411377
(2R)-2-cyano-N-[(2R)-1-(2,5-difluorophenoxy)propan-2-yl]-4-fluoro-3,3-dimethylpent-4-enamide
CID 69470208
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
CID 115905482
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 100662600
methyl 3-(3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862695
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea
CID 167746140
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
2-amino-N-[1-(4-cyanophenoxy)propan-2-yl]-3,3-dimethylbutanamide
CID 18972800
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide (CID 100971737) is (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide is C[C@@H](COc1cccc(F)c1)NC(=O)[C@@H](C#N)C(C)(C)C.
What is the InChIKey of (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is UFAYYMNIGDXDIT-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-6-12(17)8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11-,14+/m0/s1.
What are the key properties of (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide?
(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 292.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 100971737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).