tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate

C14H20N2O3 — CID 144969625

IUPACtert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
SMILESCCc1cc(NC=O)cc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-5-10-6-11(15-9-17)8-12(7-10)16-13(18)19-14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyJLDRQSIZITVVGM-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate

tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate (PubChem CID 144969625) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
PubChem CID144969625
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
SMILESCCc1cc(NC=O)cc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-5-10-6-11(15-9-17)8-12(7-10)16-13(18)19-14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyJLDRQSIZITVVGM-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3,5-diethylphenyl)carbamate
CID 13150461
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[3-chloro-5-(chloromethyl)phenyl]carbamate
CID 117236621
4-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-oxobutanoic acid
CID 147264482
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[4-ethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamate;ethylbenzene;prop-1-yne
CID 142394079
tert-butyl N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 117236612
tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate
CID 175379574
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl 4-formamidobenzoate
CID 22291289
tert-butyl N-(3,5-dinitrosophenyl)carbamate
CID 129228787
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate?
The IUPAC name of tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate (CID 144969625) is tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate is CCc1cc(NC=O)cc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate?
The InChIKey is JLDRQSIZITVVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-10-6-11(15-9-17)8-12(7-10)16-13(18)19-14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate?
tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate is sourced from PubChem (CID 144969625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).