N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide

C25H26N2O3 — CID 17222980

IUPACN-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-18(2)30-23-13-6-10-20(16-23)25(29)27-22-12-7-11-21(17-22)26-24(28)15-14-19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXHBJHHBFRRIMKU-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.30
Rot. Bonds8

About N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide

N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 17222980) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
PubChem CID17222980
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-18(2)30-23-13-6-10-20(16-23)25(29)27-22-12-7-11-21(17-22)26-24(28)15-14-19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyXHBJHHBFRRIMKU-UHFFFAOYSA-N
XLogP5.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927930
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17235910
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222894
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide (CID 17222980) is N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c1.
What is the InChIKey of N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is XHBJHHBFRRIMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(2)30-23-13-6-10-20(16-23)25(29)27-22-12-7-11-21(17-22)26-24(28)15-14-19-8-4-3-5-9-19/h3-13,16-18H,14-15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide?
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17222980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).