N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide

C27H32N4O — CID 53108619

IUPACN-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1
InChIInChI=1S/C27H32N4O/c1-2-3-7-20-10-16-25(17-11-20)30-26(32)22-14-12-21(13-15-22)23-18-28-27(29-19-23)31-24-8-5-4-6-9-24/h10-19,24H,2-9H2,1H3,(H,30,32)(H,28,29,31)
InChIKeyZGAAOKPXEZXXRM-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.48
Rot. Bonds8

About N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide

N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide (PubChem CID 53108619) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
PubChem CID53108619
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1
InChIInChI=1S/C27H32N4O/c1-2-3-7-20-10-16-25(17-11-20)30-26(32)22-14-12-21(13-15-22)23-18-28-27(29-19-23)31-24-8-5-4-6-9-24/h10-19,24H,2-9H2,1H3,(H,30,32)(H,28,29,31)
InChIKeyZGAAOKPXEZXXRM-UHFFFAOYSA-N
XLogP6.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
CID 53108614
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
4-butyl-N-cyclopentylbenzamide
CID 60674795
2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68964971
N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
CID 143314196
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide
CID 53108650
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide (CID 53108619) is N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide is CCCCc1ccc(NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide?
The InChIKey is ZGAAOKPXEZXXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-2-3-7-20-10-16-25(17-11-20)30-26(32)22-14-12-21(13-15-22)23-18-28-27(29-19-23)31-24-8-5-4-6-9-24/h10-19,24H,2-9H2,1H3,(H,30,32)(H,28,29,31).
What are the key properties of N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide?
N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 6.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53108619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).