N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide

C25H27N3O2 — CID 46052427

IUPACN-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C25H27N3O2/c1-3-25(30)28(18-22-6-4-19(2)5-7-22)23-10-8-20(9-11-23)16-24(29)27-17-21-12-14-26-15-13-21/h4-15H,3,16-18H2,1-2H3,(H,27,29)
InChIKeySCIPZIWQHQKVON-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.19
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide

N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide (PubChem CID 46052427) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide
PubChem CID46052427
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C25H27N3O2/c1-3-25(30)28(18-22-6-4-19(2)5-7-22)23-10-8-20(9-11-23)16-24(29)27-17-21-12-14-26-15-13-21/h4-15H,3,16-18H2,1-2H3,(H,27,29)
InChIKeySCIPZIWQHQKVON-UHFFFAOYSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
2-methyl-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]benzamide
CID 46057076
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
(E)-N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46052734
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46046700
N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045670
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
CID 46046597
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide (CID 46052427) is N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide is CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide?
The InChIKey is SCIPZIWQHQKVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-3-25(30)28(18-22-6-4-19(2)5-7-22)23-10-8-20(9-11-23)16-24(29)27-17-21-12-14-26-15-13-21/h4-15H,3,16-18H2,1-2H3,(H,27,29).
What are the key properties of N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide?
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide has a molecular weight of 401.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 46052427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).