4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

C22H26N2O3 — CID 17196372

IUPAC4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-3-16-27-20-12-8-17(9-13-20)21(25)23-19-10-6-18(7-11-19)22(26)24-14-4-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,25)
InChIKeyUCMHWSWQTJCDKT-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.35
Rot. Bonds7

About 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 17196372) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID17196372
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-3-16-27-20-12-8-17(9-13-20)21(25)23-19-10-6-18(7-11-19)22(26)24-14-4-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,25)
InChIKeyUCMHWSWQTJCDKT-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
4-butoxy-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 21169593

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 17196372) is 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is UCMHWSWQTJCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-3-16-27-20-12-8-17(9-13-20)21(25)23-19-10-6-18(7-11-19)22(26)24-14-4-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,25).
What are the key properties of 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17196372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).