3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide

C27H31N3O4 — CID 22291071

IUPAC3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1
InChIInChI=1S/C27H31N3O4/c1-5-33-15-16-34-24-13-10-20(11-14-24)26(31)29-25-18-22(12-9-19(25)2)28-27(32)21-7-6-8-23(17-21)30(3)4/h6-14,17-18H,5,15-16H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyAJUCNMDMANVZHP-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.98
Rot. Bonds10

About 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide

3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide (PubChem CID 22291071) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide
PubChem CID22291071
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1
InChIInChI=1S/C27H31N3O4/c1-5-33-15-16-34-24-13-10-20(11-14-24)26(31)29-25-18-22(12-9-19(25)2)28-27(32)21-7-6-8-23(17-21)30(3)4/h6-14,17-18H,5,15-16H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyAJUCNMDMANVZHP-UHFFFAOYSA-N
XLogP4.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide (CID 22291071) is 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide is CCOCCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide?
The InChIKey is AJUCNMDMANVZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-5-33-15-16-34-24-13-10-20(11-14-24)26(31)29-25-18-22(12-9-19(25)2)28-27(32)21-7-6-8-23(17-21)30(3)4/h6-14,17-18H,5,15-16H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide?
3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide has a molecular weight of 461.56 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 22291071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).