N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide

C16H21F5N2O2 — CID 119047188

IUPACN-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide
SMILESCC(CNC(=O)CCOCC(F)(F)C(F)(F)F)N(C)c1ccccc1
InChIInChI=1S/C16H21F5N2O2/c1-12(23(2)13-6-4-3-5-7-13)10-22-14(24)8-9-25-11-15(17,18)16(19,20)21/h3-7,12H,8-11H2,1-2H3,(H,22,24)
InChIKeyBSULYIPKRAWGDX-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.23
Rot. Bonds9

About N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide

N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide (PubChem CID 119047188) has the molecular formula C16H21F5N2O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide
PubChem CID119047188
Molecular FormulaC16H21F5N2O2
Molecular Weight368.35 g/mol
Exact Mass368.15
IUPAC NameN-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide
SMILESCC(CNC(=O)CCOCC(F)(F)C(F)(F)F)N(C)c1ccccc1
InChIInChI=1S/C16H21F5N2O2/c1-12(23(2)13-6-4-3-5-7-13)10-22-14(24)8-9-25-11-15(17,18)16(19,20)21/h3-7,12H,8-11H2,1-2H3,(H,22,24)
InChIKeyBSULYIPKRAWGDX-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)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

2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 102562600
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 112826091
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 111693852
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
2,2-dichloro-N-[2-(N-methylanilino)propyl]cyclopropane-1-carboxamide
CID 78876459
3-(N-methylanilino)butanoic acid
CID 72755664
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide?
The IUPAC name of N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide (CID 119047188) is N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide.
What is the SMILES notation for N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide?
The canonical SMILES for N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide is CC(CNC(=O)CCOCC(F)(F)C(F)(F)F)N(C)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide?
The InChIKey is BSULYIPKRAWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F5N2O2/c1-12(23(2)13-6-4-3-5-7-13)10-22-14(24)8-9-25-11-15(17,18)16(19,20)21/h3-7,12H,8-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide?
N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide has a molecular weight of 368.35 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)propyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide is sourced from PubChem (CID 119047188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).