N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide

C25H26N2O3 — CID 17222902

IUPACN-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-17-30-23-14-12-20(13-15-23)25(29)27-22-10-6-9-21(18-22)26-24(28)16-11-19-7-4-3-5-8-19/h3-10,12-15,18H,2,11,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyWSXAISIFWMOPKV-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.30
Rot. Bonds9

About N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide

N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide (PubChem CID 17222902) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
PubChem CID17222902
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-17-30-23-14-12-20(13-15-23)25(29)27-22-10-6-9-21(18-22)26-24(28)16-11-19-7-4-3-5-8-19/h3-10,12-15,18H,2,11,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyWSXAISIFWMOPKV-UHFFFAOYSA-N
XLogP5.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
4-(2-ethoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17223231
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide (CID 17222902) is N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
The InChIKey is WSXAISIFWMOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-17-30-23-14-12-20(13-15-23)25(29)27-22-10-6-9-21(18-22)26-24(28)16-11-19-7-4-3-5-8-19/h3-10,12-15,18H,2,11,16-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.30, 9 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]-4-propoxybenzamide is sourced from PubChem (CID 17222902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).