5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide

C25H33N5O4 — CID 1064254

IUPAC5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C25H33N5O4/c1-33-21-6-4-5-19(17-21)27-25(32)28-20-7-8-23(30-10-2-3-11-30)22(18-20)24(31)26-9-12-29-13-15-34-16-14-29/h4-8,17-18H,2-3,9-16H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyMQXVURLWOVNAFQ-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.00
Rot. Bonds8

About 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide

5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 1064254) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID1064254
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCN3CCOCC3)c2)c1
InChIInChI=1S/C25H33N5O4/c1-33-21-6-4-5-19(17-21)27-25(32)28-20-7-8-23(30-10-2-3-11-30)22(18-20)24(31)26-9-12-29-13-15-34-16-14-29/h4-8,17-18H,2-3,9-16H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyMQXVURLWOVNAFQ-UHFFFAOYSA-N
XLogP3.00
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064693
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
5-[(3-bromophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42660036
N-(2-morpholin-4-ylethyl)-5-[(2-phenoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42751272
N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769
5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42660039
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
5-[(3-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 3504916
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide (CID 1064254) is 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide is COc1cccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCN3CCOCC3)c2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is MQXVURLWOVNAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-33-21-6-4-5-19(17-21)27-25(32)28-20-7-8-23(30-10-2-3-11-30)22(18-20)24(31)26-9-12-29-13-15-34-16-14-29/h4-8,17-18H,2-3,9-16H2,1H3,(H,26,31)(H2,27,28,32).
What are the key properties of 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide?
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 467.57 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1064254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).