N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide

C23H22N2O3 — CID 24636986

IUPACN-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17-7-11-20(12-8-17)28-21-13-9-19(10-14-21)25-22(26)15-16-24-23(27)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyLOCGYFHMBNTRIT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.55
Rot. Bonds7

About N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide

N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide (PubChem CID 24636986) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
PubChem CID24636986
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17-7-11-20(12-8-17)28-21-13-9-19(10-14-21)25-22(26)15-16-24-23(27)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyLOCGYFHMBNTRIT-UHFFFAOYSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 43168007
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide (CID 24636986) is N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide is Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide?
The InChIKey is LOCGYFHMBNTRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17-7-11-20(12-8-17)28-21-13-9-19(10-14-21)25-22(26)15-16-24-23(27)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide?
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24636986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).