5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide

C24H33N5O5 — CID 4265313

IUPAC5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCCN3CCOCC3)c2)cc(OC)c1
InChIInChI=1S/C24H33N5O5/c1-28(2)22-6-5-17(15-21(22)23(30)25-7-8-29-9-11-34-12-10-29)26-24(31)27-18-13-19(32-3)16-20(14-18)33-4/h5-6,13-16H,7-12H2,1-4H3,(H,25,30)(H2,26,27,31)
InChIKeyFJTZBDHEDQXSEC-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.48
Rot. Bonds9

About 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide

5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 4265313) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID4265313
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCCN3CCOCC3)c2)cc(OC)c1
InChIInChI=1S/C24H33N5O5/c1-28(2)22-6-5-17(15-21(22)23(30)25-7-8-29-9-11-34-12-10-29)26-24(31)27-18-13-19(32-3)16-20(14-18)33-4/h5-6,13-16H,7-12H2,1-4H3,(H,25,30)(H2,26,27,31)
InChIKeyFJTZBDHEDQXSEC-UHFFFAOYSA-N
XLogP2.48
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4588294
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42747432
5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064693
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide (CID 4265313) is 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide is COc1cc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCCN3CCOCC3)c2)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is FJTZBDHEDQXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-28(2)22-6-5-17(15-21(22)23(30)25-7-8-29-9-11-34-12-10-29)26-24(31)27-18-13-19(32-3)16-20(14-18)33-4/h5-6,13-16H,7-12H2,1-4H3,(H,25,30)(H2,26,27,31).
What are the key properties of 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 471.56 g/mol, XLogP of 2.48, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 4265313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).