ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate

C16H23FN2O3 — CID 38929597

IUPACethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CNC(=O)c1ccc(F)cc1)CC(C)C
InChIInChI=1S/C16H23FN2O3/c1-4-22-16(21)19-14(9-11(2)3)10-18-15(20)12-5-7-13(17)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyDMNRLXXYFIWRRJ-AWEZNQCLSA-N
MW310.37 g/mol
LogP2.72
Rot. Bonds7

About ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate

ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 38929597) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID38929597
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nameethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CNC(=O)c1ccc(F)cc1)CC(C)C
InChIInChI=1S/C16H23FN2O3/c1-4-22-16(21)19-14(9-11(2)3)10-18-15(20)12-5-7-13(17)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyDMNRLXXYFIWRRJ-AWEZNQCLSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
ethyl N-[1-[(2-chloro-4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959646
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
CID 60580044
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46432510
ethyl N-[1-[(2-cyano-4-fluorophenyl)carbamoylamino]-4-methylpentan-2-yl]carbamate
CID 78896128
ethyl N-[(2S)-1-[[5-(2,5-difluorophenyl)-1,2,4-oxadiazole-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate
CID 97029180
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate (CID 38929597) is ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)N[C@H](CNC(=O)c1ccc(F)cc1)CC(C)C.
What is the InChIKey of ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is DMNRLXXYFIWRRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-4-22-16(21)19-14(9-11(2)3)10-18-15(20)12-5-7-13(17)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 310.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 38929597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).