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

C25H27N3O3 — CID 4638056

IUPAC2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-28(2)23-14-11-20(27-24(29)19-9-12-21(31-3)13-10-19)17-22(23)25(30)26-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyXXAPLCWSJMUTIR-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.99
Rot. Bonds8

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

2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide (PubChem CID 4638056) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
PubChem CID4638056
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-28(2)23-14-11-20(27-24(29)19-9-12-21(31-3)13-10-19)17-22(23)25(30)26-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyXXAPLCWSJMUTIR-UHFFFAOYSA-N
XLogP3.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 1063339
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-benzyl-5-[(4-butoxybenzoyl)amino]-2-(dimethylamino)benzamide
CID 4273058
5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 42756324
N-benzyl-2-(dimethylamino)-5-[(4-hexylbenzoyl)amino]benzamide
CID 5177723
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
2-(dimethylamino)-N-(2-methoxyethyl)-5-[(4-methylbenzoyl)amino]benzamide
CID 4036231
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 5145883
2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide
CID 42747741
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide (CID 4638056) is 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide is COc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NCCc3ccccc3)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide?
The InChIKey is XXAPLCWSJMUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-28(2)23-14-11-20(27-24(29)19-9-12-21(31-3)13-10-19)17-22(23)25(30)26-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide?
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4638056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).