4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide

C30H28N2O3 — CID 43887594

IUPAC4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H28N2O3/c1-22(24-10-6-3-7-11-24)31-29(33)25-12-16-27(17-13-25)32-30(34)26-14-18-28(19-15-26)35-21-20-23-8-4-2-5-9-23/h2-19,22H,20-21H2,1H3,(H,31,33)(H,32,34)
InChIKeySILRDLXGXHDTST-UHFFFAOYSA-N
MW464.57 g/mol
LogP6.05
Rot. Bonds9

About 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide

4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 43887594) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID43887594
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H28N2O3/c1-22(24-10-6-3-7-11-24)31-29(33)25-12-16-27(17-13-25)32-30(34)26-14-18-28(19-15-26)35-21-20-23-8-4-2-5-9-23/h2-19,22H,20-21H2,1H3,(H,31,33)(H,32,34)
InChIKeySILRDLXGXHDTST-UHFFFAOYSA-N
XLogP6.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 43887636
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide (CID 43887594) is 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is SILRDLXGXHDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-22(24-10-6-3-7-11-24)31-29(33)25-12-16-27(17-13-25)32-30(34)26-14-18-28(19-15-26)35-21-20-23-8-4-2-5-9-23/h2-19,22H,20-21H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide?
4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 464.57 g/mol, XLogP of 6.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-phenylethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43887594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).