4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide

C28H32N2O4 — CID 17196210

IUPAC4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N2O4/c1-3-18-30(19-4-2)28(32)23-10-14-24(15-11-23)29-27(31)22-12-16-26(17-13-22)34-21-20-33-25-8-6-5-7-9-25/h5-17H,3-4,18-21H2,1-2H3,(H,29,31)
InChIKeyPDSTVLRKHXVDTO-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.66
Rot. Bonds12

About 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide

4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide (PubChem CID 17196210) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide
PubChem CID17196210
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N2O4/c1-3-18-30(19-4-2)28(32)23-10-14-24(15-11-23)29-27(31)22-12-16-26(17-13-22)34-21-20-33-25-8-6-5-7-9-25/h5-17H,3-4,18-21H2,1-2H3,(H,29,31)
InChIKeyPDSTVLRKHXVDTO-UHFFFAOYSA-N
XLogP5.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N,N-dipropylbenzamide
CID 17196571
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide (CID 17196210) is 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
The InChIKey is PDSTVLRKHXVDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-3-18-30(19-4-2)28(32)23-10-14-24(15-11-23)29-27(31)22-12-16-26(17-13-22)34-21-20-33-25-8-6-5-7-9-25/h5-17H,3-4,18-21H2,1-2H3,(H,29,31).
What are the key properties of 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide?
4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide has a molecular weight of 460.57 g/mol, XLogP of 5.66, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 17196210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).