N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide

C17H25FN2O2 — CID 91842778

IUPACN-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide
SMILESCc1ccc(NC(=O)CCN(C)CC2(CO)CCC2)cc1F
InChIInChI=1S/C17H25FN2O2/c1-13-4-5-14(10-15(13)18)19-16(22)6-9-20(2)11-17(12-21)7-3-8-17/h4-5,10,21H,3,6-9,11-12H2,1-2H3,(H,19,22)
InChIKeyLSKQFCPKBDFXFD-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.56
Rot. Bonds7

About N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide

N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide (PubChem CID 91842778) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide
PubChem CID91842778
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide
SMILESCc1ccc(NC(=O)CCN(C)CC2(CO)CCC2)cc1F
InChIInChI=1S/C17H25FN2O2/c1-13-4-5-14(10-15(13)18)19-16(22)6-9-20(2)11-17(12-21)7-3-8-17/h4-5,10,21H,3,6-9,11-12H2,1-2H3,(H,19,22)
InChIKeyLSKQFCPKBDFXFD-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-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

(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97453605
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835214
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide (CID 91842778) is N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide is Cc1ccc(NC(=O)CCN(C)CC2(CO)CCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide?
The InChIKey is LSKQFCPKBDFXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13-4-5-14(10-15(13)18)19-16(22)6-9-20(2)11-17(12-21)7-3-8-17/h4-5,10,21H,3,6-9,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide?
N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-[[1-(hydroxymethyl)cyclobutyl]methyl-methylamino]propanamide is sourced from PubChem (CID 91842778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).