4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide

C27H31N3O3 — CID 46469562

IUPAC4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C27H31N3O3/c1-19(30-26(32)22-9-11-23(12-10-22)27(2,3)4)25(31)29-17-20-7-13-24(14-8-20)33-18-21-6-5-15-28-16-21/h5-16,19H,17-18H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyARQBTLPXLZTPSW-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.39
Rot. Bonds8

About 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide

4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 46469562) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID46469562
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C27H31N3O3/c1-19(30-26(32)22-9-11-23(12-10-22)27(2,3)4)25(31)29-17-20-7-13-24(14-8-20)33-18-21-6-5-15-28-16-21/h5-16,19H,17-18H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyARQBTLPXLZTPSW-UHFFFAOYSA-N
XLogP4.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 55707958
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
5-(methoxymethyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78876213
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide (CID 46469562) is 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is ARQBTLPXLZTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-19(30-26(32)22-9-11-23(12-10-22)27(2,3)4)25(31)29-17-20-7-13-24(14-8-20)33-18-21-6-5-15-28-16-21/h5-16,19H,17-18H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide?
4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide has a molecular weight of 445.56 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 46469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).