2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide

C16H21F2N3O3 — CID 86907053

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C16H21F2N3O3/c1-10(21(2)9-14(22)19-11-3-4-11)15(23)20-12-5-7-13(8-6-12)24-16(17)18/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXOTBASXHSGQCSS-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.83
Rot. Bonds8

About 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide

2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 86907053) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID86907053
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)F)cc1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C16H21F2N3O3/c1-10(21(2)9-14(22)19-11-3-4-11)15(23)20-12-5-7-13(8-6-12)24-16(17)18/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXOTBASXHSGQCSS-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053316
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 86918815
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide (CID 86907053) is 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccc(OC(F)F)cc1)N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is XOTBASXHSGQCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c1-10(21(2)9-14(22)19-11-3-4-11)15(23)20-12-5-7-13(8-6-12)24-16(17)18/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 341.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 86907053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).