N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide

C19H33N3O — CID 71107508

IUPACN-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide
SMILESCCCCCC(C)N(C(=O)CCC)c1ncc(CCCC)cn1
InChIInChI=1S/C19H33N3O/c1-5-8-10-12-16(4)22(18(23)11-7-3)19-20-14-17(15-21-19)13-9-6-2/h14-16H,5-13H2,1-4H3
InChIKeyXKZRKSVKBVTSGL-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.92
Rot. Bonds11

About N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide

N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide (PubChem CID 71107508) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide.

Molecular Properties

Compound NameN-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide
PubChem CID71107508
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide
SMILESCCCCCC(C)N(C(=O)CCC)c1ncc(CCCC)cn1
InChIInChI=1S/C19H33N3O/c1-5-8-10-12-16(4)22(18(23)11-7-3)19-20-14-17(15-21-19)13-9-6-2/h14-16H,5-13H2,1-4H3
InChIKeyXKZRKSVKBVTSGL-UHFFFAOYSA-N
XLogP4.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.92
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-ylpropanamide;ethane
CID 142120271
N-heptan-2-yl-N-(3-phenylphenyl)butanamide
CID 71106689
N-(3,3-dimethylbutyl)-N-heptan-2-yl-5-propylpyrimidin-2-amine
CID 18735804
N-heptan-2-yl-N-hexylbutanamide
CID 89281566
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
1-[4-(5-heptylpyrimidin-2-yl)phenyl]propan-2-yl butanoate
CID 54452009
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
5-(8-methylnonyl)-2-(4-nonylphenyl)pyrimidine
CID 139601503

Frequently Asked Questions

What is the IUPAC name of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide?
The IUPAC name of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide (CID 71107508) is N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide.
What is the SMILES notation for N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide?
The canonical SMILES for N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide is CCCCCC(C)N(C(=O)CCC)c1ncc(CCCC)cn1.
What is the InChIKey of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide?
The InChIKey is XKZRKSVKBVTSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-5-8-10-12-16(4)22(18(23)11-7-3)19-20-14-17(15-21-19)13-9-6-2/h14-16H,5-13H2,1-4H3.
What are the key properties of N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide?
N-(5-butylpyrimidin-2-yl)-N-heptan-2-ylbutanamide has a molecular weight of 319.49 g/mol, XLogP of 4.92, 11 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-ylbutanamide is sourced from PubChem (CID 71107508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).