tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate

C20H24N2O3 — CID 59316412

IUPACtert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(24)22-11-10-14-6-4-7-15(12-14)16-8-5-9-17(13-16)18(21)23/h4-9,12-13H,10-11H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyHNNCNZMCAYWKBV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.52
Rot. Bonds5

About tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate

tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate (PubChem CID 59316412) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
PubChem CID59316412
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(24)22-11-10-14-6-4-7-15(12-14)16-8-5-9-17(13-16)18(21)23/h4-9,12-13H,10-11H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyHNNCNZMCAYWKBV-UHFFFAOYSA-N
XLogP3.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
CID 170714712
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
methyl 3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenyl]benzoate
CID 21191174
tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 68603052
tert-butyl N-[2-[3-(2-amino-5-chlorobenzoyl)phenyl]ethyl]carbamate
CID 18315389
ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate
CID 10715833
amino-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]iminomethanesulfonic acid
CID 22980950
tert-butyl N-[3-[[N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111670550

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate (CID 59316412) is tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cccc(-c2cccc(C(N)=O)c2)c1.
What is the InChIKey of tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate?
The InChIKey is HNNCNZMCAYWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)25-19(24)22-11-10-14-6-4-7-15(12-14)16-8-5-9-17(13-16)18(21)23/h4-9,12-13H,10-11H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 59316412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).