4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide

C27H31N3O4 — CID 55679486

IUPAC4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccncc1
InChIInChI=1S/C27H31N3O4/c1-18(29-26(32)20-6-8-21(9-7-20)27(2,3)4)25(31)30-22-10-11-23(33-5)24(16-22)34-17-19-12-14-28-15-13-19/h6-16,18H,17H2,1-5H3,(H,29,32)(H,30,31)
InChIKeyFDVRKXKNFBUXKK-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.72
Rot. Bonds8

About 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide

4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 55679486) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID55679486
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccncc1
InChIInChI=1S/C27H31N3O4/c1-18(29-26(32)20-6-8-21(9-7-20)27(2,3)4)25(31)30-22-10-11-23(33-5)24(16-22)34-17-19-12-14-28-15-13-19/h6-16,18H,17H2,1-5H3,(H,29,32)(H,30,31)
InChIKeyFDVRKXKNFBUXKK-UHFFFAOYSA-N
XLogP4.72
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 33128215
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55683457
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 18890174
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
3-(dimethylamino)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427160
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide (CID 55679486) is 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide is COc1ccc(NC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1ccncc1.
What is the InChIKey of 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is FDVRKXKNFBUXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-18(29-26(32)20-6-8-21(9-7-20)27(2,3)4)25(31)30-22-10-11-23(33-5)24(16-22)34-17-19-12-14-28-15-13-19/h6-16,18H,17H2,1-5H3,(H,29,32)(H,30,31).
What are the key properties of 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide?
4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 461.56 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55679486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).