N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide

C22H26N2O2 — CID 109044308

IUPACN-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)18-10-12-19(13-11-18)23-20(25)16-6-8-17(9-7-16)21(26)24-14-4-5-15-24/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyHXJMGMRTIPIJBF-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.47
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide

N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044308) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044308
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)18-10-12-19(13-11-18)23-20(25)16-6-8-17(9-7-16)21(26)24-14-4-5-15-24/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyHXJMGMRTIPIJBF-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
1-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100620104

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044308) is N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is HXJMGMRTIPIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)18-10-12-19(13-11-18)23-20(25)16-6-8-17(9-7-16)21(26)24-14-4-5-15-24/h6-13H,4-5,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).