4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

C18H28N2O — CID 106609044

IUPAC4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-5-20(13-16-7-6-12-19-16)17(21)14-8-10-15(11-9-14)18(2,3)4/h8-11,16,19H,5-7,12-13H2,1-4H3
InChIKeyPICCAVBZKCSPCI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.20
Rot. Bonds4

About 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide

4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609044) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609044
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-5-20(13-16-7-6-12-19-16)17(21)14-8-10-15(11-9-14)18(2,3)4/h8-11,16,19H,5-7,12-13H2,1-4H3
InChIKeyPICCAVBZKCSPCI-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106609254
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609044) is 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is PICCAVBZKCSPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-20(13-16-7-6-12-19-16)17(21)14-8-10-15(11-9-14)18(2,3)4/h8-11,16,19H,5-7,12-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).