5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide

C21H27N3O4 — CID 5145883

IUPAC5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N(C)C
InChIInChI=1S/C21H27N3O4/c1-6-11-22-20(25)17-12-14(7-10-18(17)24(2)3)23-21(26)16-9-8-15(27-4)13-19(16)28-5/h7-10,12-13H,6,11H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyOVQCVUFRAGQFOF-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.16
Rot. Bonds8

About 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide

5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide (PubChem CID 5145883) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide.

Molecular Properties

Compound Name5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
PubChem CID5145883
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N(C)C
InChIInChI=1S/C21H27N3O4/c1-6-11-22-20(25)17-12-14(7-10-18(17)24(2)3)23-21(26)16-9-8-15(27-4)13-19(16)28-5/h7-10,12-13H,6,11H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyOVQCVUFRAGQFOF-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-propylbenzamide
CID 3459744
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(dimethylamino)-N-propylbenzamide
CID 3297823
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 4638056
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
The IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide (CID 5145883) is 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide.
What is the SMILES notation for 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
The canonical SMILES for 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N(C)C.
What is the InChIKey of 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
The InChIKey is OVQCVUFRAGQFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-6-11-22-20(25)17-12-14(7-10-18(17)24(2)3)23-21(26)16-9-8-15(27-4)13-19(16)28-5/h7-10,12-13H,6,11H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide?
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide has a molecular weight of 385.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide is sourced from PubChem (CID 5145883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).