2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide

C13H17F2N3O3 — CID 61258827

IUPAC2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2N3O3/c14-13(15)21-10-3-1-9(2-4-10)5-6-17-12(20)8-18-11(19)7-16/h1-4,13H,5-8,16H2,(H,17,20)(H,18,19)
InChIKeyQVGNQADIWQHVII-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.02
Rot. Bonds8

About 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide (PubChem CID 61258827) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
PubChem CID61258827
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2N3O3/c14-13(15)21-10-3-1-9(2-4-10)5-6-17-12(20)8-18-11(19)7-16/h1-4,13H,5-8,16H2,(H,17,20)(H,18,19)
InChIKeyQVGNQADIWQHVII-UHFFFAOYSA-N
XLogP0.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
4-O-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015453
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 8637595
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 8578327
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide (CID 61258827) is 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide?
The InChIKey is QVGNQADIWQHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c14-13(15)21-10-3-1-9(2-4-10)5-6-17-12(20)8-18-11(19)7-16/h1-4,13H,5-8,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide has a molecular weight of 301.29 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 61258827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).