N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C17H25FN2O2 — CID 34316547

IUPACN-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1F
InChIInChI=1S/C17H25FN2O2/c1-12-7-8-13(10-14(12)18)11-20-15(21)6-5-9-19-16(22)17(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyDXAJEMURACCXFV-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.69
Rot. Bonds6

About N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 34316547) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID34316547
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1F
InChIInChI=1S/C17H25FN2O2/c1-12-7-8-13(10-14(12)18)11-20-15(21)6-5-9-19-16(22)17(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyDXAJEMURACCXFV-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide 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

2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 51338440
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
CID 32758147
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
2-amino-2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]butanamide
CID 79809845
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263
2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylbutanamide
CID 76893522

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 34316547) is N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is Cc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1F.
What is the InChIKey of N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is DXAJEMURACCXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12-7-8-13(10-14(12)18)11-20-15(21)6-5-9-19-16(22)17(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 308.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 34316547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).