N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide

C14H19F3N2O2 — CID 115576057

IUPACN-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9(2)19-13(20)10(3)18-8-11-4-6-12(7-5-11)21-14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20)
InChIKeyAIENEYMUCROZHH-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.59
Rot. Bonds6

About N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide

N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 115576057) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
PubChem CID115576057
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
SMILESCC(C)NC(=O)C(C)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9(2)19-13(20)10(3)18-8-11-4-6-12(7-5-11)21-14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20)
InChIKeyAIENEYMUCROZHH-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide 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

(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
(2S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 120510495
2-methyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 134162201
3-[[4-(trifluoromethoxy)phenyl]methylamino]pentanoic acid
CID 134162198
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide (CID 115576057) is N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide is CC(C)NC(=O)C(C)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is AIENEYMUCROZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(2)19-13(20)10(3)18-8-11-4-6-12(7-5-11)21-14(15,16)17/h4-7,9-10,18H,8H2,1-3H3,(H,19,20).
What are the key properties of N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide?
N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 115576057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).