N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide

C25H26N2O3 — CID 17202577

IUPACN-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-7-24(28)26-21-12-14-22(15-13-21)27-25(29)20-10-6-11-23(18-20)30-17-16-19-8-4-3-5-9-19/h3-6,8-15,18H,2,7,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyQNDDFXYJARDTRK-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.30
Rot. Bonds9

About N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide

N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide (PubChem CID 17202577) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
PubChem CID17202577
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(OCCc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-2-7-24(28)26-21-12-14-22(15-13-21)27-25(29)20-10-6-11-23(18-20)30-17-16-19-8-4-3-5-9-19/h3-6,8-15,18H,2,7,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyQNDDFXYJARDTRK-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-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 26162531
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-[[3-(hexanoylamino)phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 26161971

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide (CID 17202577) is N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide is CCCC(=O)Nc1ccc(NC(=O)c2cccc(OCCc3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide?
The InChIKey is QNDDFXYJARDTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-7-24(28)26-21-12-14-22(15-13-21)27-25(29)20-10-6-11-23(18-20)30-17-16-19-8-4-3-5-9-19/h3-6,8-15,18H,2,7,16-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide?
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide 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-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17202577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).