N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide

C23H22N2O4 — CID 23913160

IUPACN-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-21(26)24-17-13-15-18(16-14-17)25-22(27)23(28-19-9-5-3-6-10-19)29-20-11-7-4-8-12-20/h3-16,23H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXQKCRNLTSBCGKV-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.46
Rot. Bonds8

About N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide

N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide (PubChem CID 23913160) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide
PubChem CID23913160
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-21(26)24-17-13-15-18(16-14-17)25-22(27)23(28-19-9-5-3-6-10-19)29-20-11-7-4-8-12-20/h3-16,23H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXQKCRNLTSBCGKV-UHFFFAOYSA-N
XLogP4.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-hydroxy-2-phenylacetyl)amino]phenyl]propanamide
CID 110895297
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
ethane;methane;N-phenylpropanamide
CID 159778408
(2R)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579556
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
2-phenoxy-N-phenylhexanamide
CID 70624716

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide?
The IUPAC name of N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide (CID 23913160) is N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide?
The canonical SMILES for N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide?
The InChIKey is XQKCRNLTSBCGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-21(26)24-17-13-15-18(16-14-17)25-22(27)23(28-19-9-5-3-6-10-19)29-20-11-7-4-8-12-20/h3-16,23H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide?
N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide has a molecular weight of 390.44 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-diphenoxyacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 23913160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).