N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide

C24H27N3O2 — CID 113030220

IUPACN-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N(Cc3ccccc3)C(C)C)cn2)cc1
InChIInChI=1S/C24H27N3O2/c1-18(2)27(16-20-7-5-4-6-8-20)21-11-14-23(25-15-21)26-24(28)17-29-22-12-9-19(3)10-13-22/h4-15,18H,16-17H2,1-3H3,(H,25,26,28)
InChIKeyJFCJNEYLRFYPSS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.82
Rot. Bonds8

About N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide

N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113030220) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
PubChem CID113030220
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N(Cc3ccccc3)C(C)C)cn2)cc1
InChIInChI=1S/C24H27N3O2/c1-18(2)27(16-20-7-5-4-6-8-20)21-11-14-23(25-15-21)26-24(28)17-29-22-12-9-19(3)10-13-22/h4-15,18H,16-17H2,1-3H3,(H,25,26,28)
InChIKeyJFCJNEYLRFYPSS-UHFFFAOYSA-N
XLogP4.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 3602002
6-[[2-(4-methylphenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 61319402
N-(5-amino-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 82330844
N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030195
2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034522
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247460
methyl 2-[[2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzoate
CID 17247430
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17247458
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
N-[5-[benzyl(methyl)amino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113026912
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820

Frequently Asked Questions

What is the IUPAC name of N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide (CID 113030220) is N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N(Cc3ccccc3)C(C)C)cn2)cc1.
What is the InChIKey of N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is JFCJNEYLRFYPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(2)27(16-20-7-5-4-6-8-20)21-11-14-23(25-15-21)26-24(28)17-29-22-12-9-19(3)10-13-22/h4-15,18H,16-17H2,1-3H3,(H,25,26,28).
What are the key properties of N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide?
N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113030220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).