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

C14H20N2O3 — CID 137389832

IUPACtert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-7-10-5-4-6-11(9-10)12(15)17/h4-6,9H,7-8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyOHFPJSDECJHQSD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.85
Rot. Bonds4

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

tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate (PubChem CID 137389832) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
PubChem CID137389832
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-7-10-5-4-6-11(9-10)12(15)17/h4-6,9H,7-8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyOHFPJSDECJHQSD-UHFFFAOYSA-N
XLogP1.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
tert-butyl N-[2-[3-(2-amino-5-chlorobenzoyl)phenyl]ethyl]carbamate
CID 18315389
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
CID 81463312
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740263
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
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
tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
CID 142596019
tert-butyl N-[4-(3-aminophenyl)butyl]carbamate
CID 122523747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate (CID 137389832) is tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cccc(C(N)=O)c1.
What is the InChIKey of tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate?
The InChIKey is OHFPJSDECJHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-7-10-5-4-6-11(9-10)12(15)17/h4-6,9H,7-8H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate?
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.85, 4 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-carbamoylphenyl)ethyl]carbamate is sourced from PubChem (CID 137389832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).