tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate

C19H29FN2O3 — CID 22959070

IUPACtert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate
SMILESCC(C)N(C(=O)C(NC(=O)OC(C)(C)C)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H29FN2O3/c1-12(2)22(13(3)4)17(23)16(14-8-10-15(20)11-9-14)21-18(24)25-19(5,6)7/h8-13,16H,1-7H3,(H,21,24)
InChIKeyBEQYAETUPYDWAA-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.04
Rot. Bonds5

About tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate

tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate (PubChem CID 22959070) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate
PubChem CID22959070
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Nametert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate
SMILESCC(C)N(C(=O)C(NC(=O)OC(C)(C)C)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H29FN2O3/c1-12(2)22(13(3)4)17(23)16(14-8-10-15(20)11-9-14)21-18(24)25-19(5,6)7/h8-13,16H,1-7H3,(H,21,24)
InChIKeyBEQYAETUPYDWAA-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
prop-2-ynyl (2R)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 46703414
tert-butyl N-[3-diazo-1-(4-fluorophenyl)-2-oxopropyl]carbamate
CID 57315180
tert-butyl N-[(1R)-1-(4-bromophenyl)-2-(dimethylamino)-2-oxoethyl]carbamate
CID 153436928
tert-butyl N-[(S)-cyano-(4-fluorophenyl)methyl]carbamate
CID 51723373
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
tert-butyl N-[2-acetyl-1-(4-fluorophenyl)-3-oxobutyl]carbamate
CID 58900587
(3R)-3-(4-fluorophenyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 125458102
methyl (3R)-3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118046253
tert-butyl N-[1-(4-fluorophenyl)-3-oxopropyl]carbamate
CID 87517923
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 25417845
tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate
CID 69267743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate (CID 22959070) is tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate is CC(C)N(C(=O)C(NC(=O)OC(C)(C)C)c1ccc(F)cc1)C(C)C.
What is the InChIKey of tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate?
The InChIKey is BEQYAETUPYDWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-12(2)22(13(3)4)17(23)16(14-8-10-15(20)11-9-14)21-18(24)25-19(5,6)7/h8-13,16H,1-7H3,(H,21,24).
What are the key properties of tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate?
tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate has a molecular weight of 352.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[di(propan-2-yl)amino]-1-(4-fluorophenyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 22959070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).