4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide

C19H27FN2O3 — CID 129238772

IUPAC4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCCF)c1)C(C)(C)C
InChIInChI=1S/C19H27FN2O3/c1-19(2,3)16(18(24)21-4)22-17(23)13-7-8-14(12-5-6-12)15(11-13)25-10-9-20/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyXOFVIAMIOYVCTL-MRXNPFEDSA-N
MW350.43 g/mol
LogP2.80
Rot. Bonds7

About 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide

4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide (PubChem CID 129238772) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide
PubChem CID129238772
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCCF)c1)C(C)(C)C
InChIInChI=1S/C19H27FN2O3/c1-19(2,3)16(18(24)21-4)22-17(23)13-7-8-14(12-5-6-12)15(11-13)25-10-9-20/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,21,24)(H,22,23)/t16-/m1/s1
InChIKeyXOFVIAMIOYVCTL-MRXNPFEDSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide with MolForge

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Related Compounds

(S)-2-(4-Diisopropylcarbamoyl-2-isopropoxy-benzoylamino)-4-methyl-pentanoic acid methyl ester
CID 11316476
Ncl-1
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CID 45270275
3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide
CID 2974778
3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 28918445
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-isopropoxy-2-methylbenzamide
CID 89905749
Flualamide
CID 71836
Terephthalamide scaffold, 24
CID 11339175
Terephthalamide scaffold, 37
CID 11187645
Terephthalamide scaffold, 40
CID 11294190
Terephthalamide scaffold, 39
CID 11407507
Terephthalamide scaffold, 33
CID 11461823

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide?
The IUPAC name of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide (CID 129238772) is 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide?
The canonical SMILES for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide is CNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCCF)c1)C(C)(C)C.
What is the InChIKey of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide?
The InChIKey is XOFVIAMIOYVCTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-19(2,3)16(18(24)21-4)22-17(23)13-7-8-14(12-5-6-12)15(11-13)25-10-9-20/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,21,24)(H,22,23)/t16-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide?
4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide has a molecular weight of 350.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoroethoxy)benzamide is sourced from PubChem (CID 129238772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).