2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide

C25H26N2O4 — CID 4955048

IUPAC2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-18(2)26-25(29)22-13-6-7-14-23(22)27-24(28)19-9-8-12-21(17-19)31-16-15-30-20-10-4-3-5-11-20/h3-14,17-18H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZIFQYAVGCXDOBE-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.53
Rot. Bonds9

About 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide

2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 4955048) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
PubChem CID4955048
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c1-18(2)26-25(29)22-13-6-7-14-23(22)27-24(28)19-9-8-12-21(17-19)31-16-15-30-20-10-4-3-5-11-20/h3-14,17-18H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyZIFQYAVGCXDOBE-UHFFFAOYSA-N
XLogP4.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-butoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4957132
2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4981659
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4955039
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide (CID 4955048) is 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ZIFQYAVGCXDOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18(2)26-25(29)22-13-6-7-14-23(22)27-24(28)19-9-8-12-21(17-19)31-16-15-30-20-10-4-3-5-11-20/h3-14,17-18H,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide?
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 418.49 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4955048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).