(N-tert-butylanilino) formate

C11H15NO2 — CID 174871927

IUPAC(N-tert-butylanilino) formate
SMILESCC(C)(C)N(OC=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12(14-9-13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyMFWDOYGUZVPDPN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.38
Rot. Bonds3

About (N-tert-butylanilino) formate

(N-tert-butylanilino) formate (PubChem CID 174871927) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (N-tert-butylanilino) formate.

Molecular Properties

Compound Name(N-tert-butylanilino) formate
PubChem CID174871927
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(N-tert-butylanilino) formate
SMILESCC(C)(C)N(OC=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12(14-9-13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyMFWDOYGUZVPDPN-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N-tert-butylanilino) formate?
The IUPAC name of (N-tert-butylanilino) formate (CID 174871927) is (N-tert-butylanilino) formate.
What is the SMILES notation for (N-tert-butylanilino) formate?
The canonical SMILES for (N-tert-butylanilino) formate is CC(C)(C)N(OC=O)c1ccccc1.
What is the InChIKey of (N-tert-butylanilino) formate?
The InChIKey is MFWDOYGUZVPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)12(14-9-13)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of (N-tert-butylanilino) formate?
(N-tert-butylanilino) formate has a molecular weight of 193.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-tert-butylanilino) formate is sourced from PubChem (CID 174871927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).