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

C24H25NO4 — CID 17142503

IUPACN-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C24H25NO4/c1-18(2)29-23-13-6-8-19(16-23)24(26)25-20-9-7-12-22(17-20)28-15-14-27-21-10-4-3-5-11-21/h3-13,16-18H,14-15H2,1-2H3,(H,25,26)
InChIKeySXIKKNUXBSHLHF-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.18
Rot. Bonds9

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

N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 17142503) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
PubChem CID17142503
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C24H25NO4/c1-18(2)29-23-13-6-8-19(16-23)24(26)25-20-9-7-12-22(17-20)28-15-14-27-21-10-4-3-5-11-21/h3-13,16-18H,14-15H2,1-2H3,(H,25,26)
InChIKeySXIKKNUXBSHLHF-UHFFFAOYSA-N
XLogP5.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142390
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142762
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235625
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide (CID 17142503) is N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)c1.
What is the InChIKey of N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is SXIKKNUXBSHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-18(2)29-23-13-6-8-19(16-23)24(26)25-20-9-7-12-22(17-20)28-15-14-27-21-10-4-3-5-11-21/h3-13,16-18H,14-15H2,1-2H3,(H,25,26).
What are the key properties of N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide?
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17142503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).