N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide

C21H21N3O2 — CID 39259940

IUPACN-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCc1nccc(-c2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2)n1
InChIInChI=1S/C21H21N3O2/c1-14(2)26-19-9-7-16(8-10-19)21(25)24-18-6-4-5-17(13-18)20-11-12-22-15(3)23-20/h4-14H,1-3H3,(H,24,25)
InChIKeyIOMOXEKYLMQERQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.49
Rot. Bonds5

About N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide

N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 39259940) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID39259940
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCc1nccc(-c2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2)n1
InChIInChI=1S/C21H21N3O2/c1-14(2)26-19-9-7-16(8-10-19)21(25)24-18-6-4-5-17(13-18)20-11-12-22-15(3)23-20/h4-14H,1-3H3,(H,24,25)
InChIKeyIOMOXEKYLMQERQ-UHFFFAOYSA-N
XLogP4.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259977
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39028264
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248
2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145
3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259896
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39260069
2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide
CID 47066335
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
4-tert-butyl-N-[3-[3-(2-methylpyrimidin-4-yl)anilino]-3-oxopropyl]benzamide
CID 39028780
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide (CID 39259940) is N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide is Cc1nccc(-c2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2)n1.
What is the InChIKey of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is IOMOXEKYLMQERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(2)26-19-9-7-16(8-10-19)21(25)24-18-6-4-5-17(13-18)20-11-12-22-15(3)23-20/h4-14H,1-3H3,(H,24,25).
What are the key properties of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide?
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 39259940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).