N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide

C14H23N3O2 — CID 71944585

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccn1C
InChIInChI=1S/C14H23N3O2/c1-6-17(10-12(18)15-14(2,3)4)13(19)11-8-7-9-16(11)5/h7-9H,6,10H2,1-5H3,(H,15,18)
InChIKeyDWJWQOASRIVPCF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide (PubChem CID 71944585) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
PubChem CID71944585
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccn1C
InChIInChI=1S/C14H23N3O2/c1-6-17(10-12(18)15-14(2,3)4)13(19)11-8-7-9-16(11)5/h7-9H,6,10H2,1-5H3,(H,15,18)
InChIKeyDWJWQOASRIVPCF-UHFFFAOYSA-N
XLogP1.40
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide (CID 71944585) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cccn1C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide?
The InChIKey is DWJWQOASRIVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-17(10-12(18)15-14(2,3)4)13(19)11-8-7-9-16(11)5/h7-9H,6,10H2,1-5H3,(H,15,18).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71944585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).