N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane

C20H37N3O — CID 142120271

IUPACN-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane
SMILESCC.CCCCCC(C)N(C(=O)CC)c1ncc(CCCC)cn1
InChIInChI=1S/C18H31N3O.C2H6/c1-5-8-10-11-15(4)21(17(22)7-3)18-19-13-16(14-20-18)12-9-6-2;1-2/h13-15H,5-12H2,1-4H3;1-2H3
InChIKeyRAXHVJVNTCCJLN-UHFFFAOYSA-N
MW335.54 g/mol
LogP5.56
Rot. Bonds10

About N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane

N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane (PubChem CID 142120271) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane.

Molecular Properties

Compound NameN-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane
PubChem CID142120271
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC NameN-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane
SMILESCC.CCCCCC(C)N(C(=O)CC)c1ncc(CCCC)cn1
InChIInChI=1S/C18H31N3O.C2H6/c1-5-8-10-11-15(4)21(17(22)7-3)18-19-13-16(14-20-18)12-9-6-2;1-2/h13-15H,5-12H2,1-4H3;1-2H3
InChIKeyRAXHVJVNTCCJLN-UHFFFAOYSA-N
XLogP5.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide
CID 71107508
N-(3,3-dimethylbutyl)-N-heptan-2-yl-5-propylpyrimidin-2-amine
CID 18735804
2-[[4-(5-butylpyrimidin-2-yl)phenyl]methyl]decanoic acid
CID 57242753
5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
CID 18735580
2-[4-(5-nonylpyrimidin-2-yl)phenyl]nonanoic acid
CID 172706688
5-(8-methylnonyl)-2-(4-nonylphenyl)pyrimidine
CID 139601503
5-hexyl-2-[4-(8-methylnonyl)phenyl]pyrimidine
CID 139626601
2-[4-(6-methylheptyl)phenyl]-5-tridecylpyrimidine
CID 139803505
5-(9-methyldecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803494
propan-2-yl 5-butylpyridine-2-carboxylate
CID 67977918
2-(4-hexylphenyl)-5-(9-methyldecyl)pyrimidine
CID 139803492
[4-(5-decylpyrimidin-2-yl)phenyl]-[4,7,10,13,16-pentakis[4-(5-decylpyrimidin-2-yl)benzoyl]-1,4,7,10,13,16-hexazacyclooctadec-1-yl]methanone
CID 139844776

Frequently Asked Questions

What is the IUPAC name of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane?
The IUPAC name of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane (CID 142120271) is N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane.
What is the SMILES notation for N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane?
The canonical SMILES for N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane is CC.CCCCCC(C)N(C(=O)CC)c1ncc(CCCC)cn1.
What is the InChIKey of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane?
The InChIKey is RAXHVJVNTCCJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O.C2H6/c1-5-8-10-11-15(4)21(17(22)7-3)18-19-13-16(14-20-18)12-9-6-2;1-2/h13-15H,5-12H2,1-4H3;1-2H3.
What are the key properties of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane?
N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane has a molecular weight of 335.54 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylpropanamide;ethane is sourced from PubChem (CID 142120271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).