N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide

C18H24F3N3O2 — CID 51860705

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@](C)(C#N)C(C)C
InChIInChI=1S/C18H24F3N3O2/c1-5-8-26-15-7-6-13(18(19,20)21)9-14(15)23-10-16(25)24-17(4,11-22)12(2)3/h6-7,9,12,23H,5,8,10H2,1-4H3,(H,24,25)/t17-/m1/s1
InChIKeyNQWDYAAVQOVJQI-QGZVFWFLSA-N
MW371.40 g/mol
LogP3.96
Rot. Bonds8

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide (PubChem CID 51860705) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
PubChem CID51860705
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@](C)(C#N)C(C)C
InChIInChI=1S/C18H24F3N3O2/c1-5-8-26-15-7-6-13(18(19,20)21)9-14(15)23-10-16(25)24-17(4,11-22)12(2)3/h6-7,9,12,23H,5,8,10H2,1-4H3,(H,24,25)/t17-/m1/s1
InChIKeyNQWDYAAVQOVJQI-QGZVFWFLSA-N
XLogP3.96
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
N-(3-methoxyphenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 33164006
1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
CID 55437070
N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070606
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51883684

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide (CID 51860705) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide is CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@](C)(C#N)C(C)C.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is NQWDYAAVQOVJQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-5-8-26-15-7-6-13(18(19,20)21)9-14(15)23-10-16(25)24-17(4,11-22)12(2)3/h6-7,9,12,23H,5,8,10H2,1-4H3,(H,24,25)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 51860705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).