4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide

C22H27N3O3 — CID 110400402

IUPAC4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCOCC3)ccc2N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-27-19-7-4-17(5-8-19)22(26)23-20-16-18(24-12-14-28-15-13-24)6-9-21(20)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,23,26)
InChIKeyXSWNOVSWPCLWDG-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.38
Rot. Bonds5

About 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide

4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 110400402) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID110400402
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCOCC3)ccc2N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-27-19-7-4-17(5-8-19)22(26)23-20-16-18(24-12-14-28-15-13-24)6-9-21(20)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,23,26)
InChIKeyXSWNOVSWPCLWDG-UHFFFAOYSA-N
XLogP3.38
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 110361913
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
CID 17027218
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide (CID 110400402) is 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide is COc1ccc(C(=O)Nc2cc(N3CCOCC3)ccc2N2CCCC2)cc1.
What is the InChIKey of 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is XSWNOVSWPCLWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-19-7-4-17(5-8-19)22(26)23-20-16-18(24-12-14-28-15-13-24)6-9-21(20)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,23,26).
What are the key properties of 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide?
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110400402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).