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

C15H22F2N2O2 — CID 61260815

IUPAC2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10(2)9-13(18)14(20)19-8-7-11-3-5-12(6-4-11)21-15(16)17/h3-6,10,13,15H,7-9,18H2,1-2H3,(H,19,20)
InChIKeyGHRAOWLNNHYZCR-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.32
Rot. Bonds8

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

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide (PubChem CID 61260815) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
PubChem CID61260815
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10(2)9-13(18)14(20)19-8-7-11-3-5-12(6-4-11)21-15(16)17/h3-6,10,13,15H,7-9,18H2,1-2H3,(H,19,20)
InChIKeyGHRAOWLNNHYZCR-UHFFFAOYSA-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

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Related Compounds

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412
(2S,3S)-2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methylpentanamide
CID 61259364
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide;hydrochloride
CID 119675788
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
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
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide (CID 61260815) is 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide is CC(C)CC(N)C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
The InChIKey is GHRAOWLNNHYZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10(2)9-13(18)14(20)19-8-7-11-3-5-12(6-4-11)21-15(16)17/h3-6,10,13,15H,7-9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-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 2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide is sourced from PubChem (CID 61260815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).