(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide

C15H21F2N3O3 — CID 94818789

IUPAC(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Nc1ccc(C)c(OCC(F)F)c1
InChIInChI=1S/C15H21F2N3O3/c1-4-18-15(22)20-14(21)10(3)19-11-6-5-9(2)12(7-11)23-8-13(16)17/h5-7,10,13,19H,4,8H2,1-3H3,(H2,18,20,21,22)/t10-/m0/s1
InChIKeyXMCCKBXEEBRLFH-JTQLQIEISA-N
MW329.35 g/mol
LogP2.29
Rot. Bonds7

About (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide

(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide (PubChem CID 94818789) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
PubChem CID94818789
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Nc1ccc(C)c(OCC(F)F)c1
InChIInChI=1S/C15H21F2N3O3/c1-4-18-15(22)20-14(21)10(3)19-11-6-5-9(2)12(7-11)23-8-13(16)17/h5-7,10,13,19H,4,8H2,1-3H3,(H2,18,20,21,22)/t10-/m0/s1
InChIKeyXMCCKBXEEBRLFH-JTQLQIEISA-N
XLogP2.29
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 122157649
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119768212
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
CID 32737082
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide (CID 94818789) is (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)[C@H](C)Nc1ccc(C)c(OCC(F)F)c1.
What is the InChIKey of (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is XMCCKBXEEBRLFH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21F2N3O3/c1-4-18-15(22)20-14(21)10(3)19-11-6-5-9(2)12(7-11)23-8-13(16)17/h5-7,10,13,19H,4,8H2,1-3H3,(H2,18,20,21,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide?
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 329.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 94818789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).