2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C23H30N4O4 — CID 3531074

IUPAC2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N(C)C)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C23H30N4O4/c1-26(2)20-9-8-17(25-23(29)18-6-4-5-7-21(18)30-3)16-19(20)22(28)24-10-11-27-12-14-31-15-13-27/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDIKCGBJCUKQLGG-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.08
Rot. Bonds8

About 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 3531074) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID3531074
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N(C)C)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C23H30N4O4/c1-26(2)20-9-8-17(25-23(29)18-6-4-5-7-21(18)30-3)16-19(20)22(28)24-10-11-27-12-14-31-15-13-27/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyDIKCGBJCUKQLGG-UHFFFAOYSA-N
XLogP2.08
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.08
H-Bond Donors ≤ 52
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-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
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
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)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4003160
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42747432
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064583
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
5-[(4-methoxyphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064693

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 3531074) is 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is COc1ccccc1C(=O)Nc1ccc(N(C)C)c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is DIKCGBJCUKQLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-26(2)20-9-8-17(25-23(29)18-6-4-5-7-21(18)30-3)16-19(20)22(28)24-10-11-27-12-14-31-15-13-27/h4-9,16H,10-15H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 3531074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).