5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide

C15H22F2N2O2 — CID 104684782

IUPAC5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-11(3-2-9-18)14(20)19-10-8-12-4-6-13(7-5-12)21-15(16)17/h4-7,11,15H,2-3,8-10,18H2,1H3,(H,19,20)
InChIKeyXTCJPSWKYNVZDM-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.32
Rot. Bonds9

About 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide

5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide (PubChem CID 104684782) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
PubChem CID104684782
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-11(3-2-9-18)14(20)19-10-8-12-4-6-13(7-5-12)21-15(16)17/h4-7,11,15H,2-3,8-10,18H2,1H3,(H,19,20)
InChIKeyXTCJPSWKYNVZDM-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide 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)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55912713

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide (CID 104684782) is 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide is CC(CCCN)C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide?
The InChIKey is XTCJPSWKYNVZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-11(3-2-9-18)14(20)19-10-8-12-4-6-13(7-5-12)21-15(16)17/h4-7,11,15H,2-3,8-10,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide?
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide has a molecular weight of 300.35 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide is sourced from PubChem (CID 104684782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).