(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide

C15H22F2N2O2 — CID 61259364

IUPAC(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-3-10(2)13(18)14(20)19-9-8-11-4-6-12(7-5-11)21-15(16)17/h4-7,10,13,15H,3,8-9,18H2,1-2H3,(H,19,20)/t10-,13-/m0/s1
InChIKeyKYXSMQKXQYZKKA-GWCFXTLKSA-N
MW300.35 g/mol
LogP2.32
Rot. Bonds8

About (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide (PubChem CID 61259364) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
PubChem CID61259364
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-3-10(2)13(18)14(20)19-9-8-11-4-6-12(7-5-11)21-15(16)17/h4-7,10,13,15H,3,8-9,18H2,1-2H3,(H,19,20)/t10-,13-/m0/s1
InChIKeyKYXSMQKXQYZKKA-GWCFXTLKSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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 (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-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
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 61260815
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
5-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpentanamide
CID 104684782
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide (CID 61259364) is (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide?
The InChIKey is KYXSMQKXQYZKKA-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-10(2)13(18)14(20)19-9-8-11-4-6-12(7-5-11)21-15(16)17/h4-7,10,13,15H,3,8-9,18H2,1-2H3,(H,19,20)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide has a molecular weight of 300.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide is sourced from PubChem (CID 61259364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).