N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide

C16H23FN2O — CID 115356216

IUPACN-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-16(2,3)19-14(20)10-18-15(11-4-5-11)12-6-8-13(17)9-7-12/h6-9,11,15,18H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyOWCZXNCGSIYVRI-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.78
Rot. Bonds5

About N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide

N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide (PubChem CID 115356216) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
PubChem CID115356216
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-16(2,3)19-14(20)10-18-15(11-4-5-11)12-6-8-13(17)9-7-12/h6-9,11,15,18H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyOWCZXNCGSIYVRI-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 43777996
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
CID 115605327
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 124618010
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103911427
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860682
tert-butyl N-[[cyclopropyl-(4-fluorophenyl)methyl]amino]carbamate
CID 107237014

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide (CID 115356216) is N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide is CC(C)(C)NC(=O)CNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide?
The InChIKey is OWCZXNCGSIYVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-16(2,3)19-14(20)10-18-15(11-4-5-11)12-6-8-13(17)9-7-12/h6-9,11,15,18H,4-5,10H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide?
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide has a molecular weight of 278.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 115356216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).