N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide

C28H25N3O4 — CID 38629097

IUPACN-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccncc1
InChIInChI=1S/C28H25N3O4/c1-34-25-12-11-24(17-26(25)35-19-20-13-15-29-16-14-20)31-27(32)18-30-28(33)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-17H,18-19H2,1H3,(H,30,33)(H,31,32)
InChIKeyQEAWSTMADSGWKE-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.70
Rot. Bonds9

About N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 38629097) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID38629097
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccncc1
InChIInChI=1S/C28H25N3O4/c1-34-25-12-11-24(17-26(25)35-19-20-13-15-29-16-14-20)31-27(32)18-30-28(33)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-17H,18-19H2,1H3,(H,30,33)(H,31,32)
InChIKeyQEAWSTMADSGWKE-UHFFFAOYSA-N
XLogP4.70
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]furan-3-carboxamide
CID 38629741
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 33125978
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide (CID 38629097) is N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide is COc1ccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccncc1.
What is the InChIKey of N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is QEAWSTMADSGWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-34-25-12-11-24(17-26(25)35-19-20-13-15-29-16-14-20)31-27(32)18-30-28(33)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-17H,18-19H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 467.53 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 38629097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).