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

C25H26N2O3 — CID 17233570

IUPACN-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-18-30-23-15-9-20(10-16-23)25(29)27-22-13-11-21(12-14-22)26-24(28)17-8-19-6-4-3-5-7-19/h3-7,9-16H,2,8,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyPSSNYPSMGSILSU-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.30
Rot. Bonds9

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

N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide (PubChem CID 17233570) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
PubChem CID17233570
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-18-30-23-15-9-20(10-16-23)25(29)27-22-13-11-21(12-14-22)26-24(28)17-8-19-6-4-3-5-7-19/h3-7,9-16H,2,8,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyPSSNYPSMGSILSU-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-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 4956680
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide (CID 17233570) is N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
The InChIKey is PSSNYPSMGSILSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-18-30-23-15-9-20(10-16-23)25(29)27-22-13-11-21(12-14-22)26-24(28)17-8-19-6-4-3-5-7-19/h3-7,9-16H,2,8,17-18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide?
N-[4-(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-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17233570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).