2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide

C24H33N5O4 — CID 3907319

IUPAC2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCCCN3CCOCC3)c2)c1
InChIInChI=1S/C24H33N5O4/c1-28(2)22-9-8-19(27-24(31)26-18-6-4-7-20(16-18)32-3)17-21(22)23(30)25-10-5-11-29-12-14-33-15-13-29/h4,6-9,16-17H,5,10-15H2,1-3H3,(H,25,30)(H2,26,27,31)
InChIKeyOMVBAIJBXYMKFI-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.86
Rot. Bonds9

About 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide

2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3907319) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3907319
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCCCN3CCOCC3)c2)c1
InChIInChI=1S/C24H33N5O4/c1-28(2)22-9-8-19(27-24(31)26-18-6-4-7-20(16-18)32-3)17-21(22)23(30)25-10-5-11-29-12-14-33-15-13-29/h4,6-9,16-17H,5,10-15H2,1-3H3,(H,25,30)(H2,26,27,31)
InChIKeyOMVBAIJBXYMKFI-UHFFFAOYSA-N
XLogP2.86
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.86
H-Bond Donors ≤ 53
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-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
5-[(4-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 3321862
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5161419
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4588294

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 3907319) is 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide is COc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCCCN3CCOCC3)c2)c1.
What is the InChIKey of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is OMVBAIJBXYMKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-28(2)22-9-8-19(27-24(31)26-18-6-4-7-20(16-18)32-3)17-21(22)23(30)25-10-5-11-29-12-14-33-15-13-29/h4,6-9,16-17H,5,10-15H2,1-3H3,(H,25,30)(H2,26,27,31).
What are the key properties of 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 455.56 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3907319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).