5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide

C26H34N4O4 — CID 42751409

IUPAC5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCN3CCOCC3)c2)c1
InChIInChI=1S/C26H34N4O4/c1-33-22-7-4-6-20(18-22)25(31)28-21-8-9-24(30-12-2-3-13-30)23(19-21)26(32)27-10-5-11-29-14-16-34-17-15-29/h4,6-9,18-19H,2-3,5,10-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyYTAHAPXGIBVMLN-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.00
Rot. Bonds9

About 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide

5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42751409) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42751409
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCN3CCOCC3)c2)c1
InChIInChI=1S/C26H34N4O4/c1-33-22-7-4-6-20(18-22)25(31)28-21-8-9-24(30-12-2-3-13-30)23(19-21)26(32)27-10-5-11-29-14-16-34-17-15-29/h4,6-9,18-19H,2-3,5,10-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyYTAHAPXGIBVMLN-UHFFFAOYSA-N
XLogP3.00
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 3321862
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
N-(3-ethoxypropyl)-5-[(3-methoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3573870
5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42752910
5-[(3-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751462
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
N-[3-(dimethylamino)propyl]-5-[(3-methoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3946307
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751478
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3430014
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide (CID 42751409) is 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide is COc1cccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCN3CCOCC3)c2)c1.
What is the InChIKey of 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is YTAHAPXGIBVMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-33-22-7-4-6-20(18-22)25(31)28-21-8-9-24(30-12-2-3-13-30)23(19-21)26(32)27-10-5-11-29-14-16-34-17-15-29/h4,6-9,18-19H,2-3,5,10-17H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide?
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 466.58 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42751409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).