N-tert-butyl-3-propan-2-yloxybenzamide

C14H21NO2 — CID 6463828

IUPACN-tert-butyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)17-12-8-6-7-11(9-12)13(16)15-14(3,4)5/h6-10H,1-5H3,(H,15,16)
InChIKeyCKWPRVWUTRADPV-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.00
Rot. Bonds3

About N-tert-butyl-3-propan-2-yloxybenzamide

N-tert-butyl-3-propan-2-yloxybenzamide (PubChem CID 6463828) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-tert-butyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-propan-2-yloxybenzamide
PubChem CID6463828
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-tert-butyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)17-12-8-6-7-11(9-12)13(16)15-14(3,4)5/h6-10H,1-5H3,(H,15,16)
InChIKeyCKWPRVWUTRADPV-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-propan-2-yloxybenzamide?
The IUPAC name of N-tert-butyl-3-propan-2-yloxybenzamide (CID 6463828) is N-tert-butyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-tert-butyl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-tert-butyl-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-propan-2-yloxybenzamide?
The InChIKey is CKWPRVWUTRADPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)17-12-8-6-7-11(9-12)13(16)15-14(3,4)5/h6-10H,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-3-propan-2-yloxybenzamide?
N-tert-butyl-3-propan-2-yloxybenzamide has a molecular weight of 235.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 6463828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).