5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide

C26H29N3O4 — CID 42747404

IUPAC5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N(C)C)c(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-17(18-9-7-6-8-10-18)27-26(31)23-15-20(11-12-24(23)29(2)3)28-25(30)19-13-21(32-4)16-22(14-19)33-5/h6-17H,1-5H3,(H,27,31)(H,28,30)
InChIKeyHGNNIIDOGUSGGB-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.51
Rot. Bonds8

About 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide

5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide (PubChem CID 42747404) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
PubChem CID42747404
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N(C)C)c(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-17(18-9-7-6-8-10-18)27-26(31)23-15-20(11-12-24(23)29(2)3)28-25(30)19-13-21(32-4)16-22(14-19)33-5/h6-17H,1-5H3,(H,27,31)(H,28,30)
InChIKeyHGNNIIDOGUSGGB-UHFFFAOYSA-N
XLogP4.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.51
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-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 7230440
N-[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide
CID 3948039
ethyl 2-[[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]acetate
CID 5152715
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CID 4038266
5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302536
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 4638056
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide (CID 42747404) is 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(N(C)C)c(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
The InChIKey is HGNNIIDOGUSGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17(18-9-7-6-8-10-18)27-26(31)23-15-20(11-12-24(23)29(2)3)28-25(30)19-13-21(32-4)16-22(14-19)33-5/h6-17H,1-5H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide?
5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42747404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).