N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide

C17H33N3O — CID 135150473

IUPACN,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide
SMILESCCCCN(CCCC)C(=O)CCCCC1=NCCCN1
InChIInChI=1S/C17H33N3O/c1-3-5-14-20(15-6-4-2)17(21)11-8-7-10-16-18-12-9-13-19-16/h3-15H2,1-2H3,(H,18,19)
InChIKeyWBRPXQXDQGDTPL-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.37
Rot. Bonds11

About N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide

N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide (PubChem CID 135150473) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide.

Molecular Properties

Compound NameN,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide
PubChem CID135150473
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide
SMILESCCCCN(CCCC)C(=O)CCCCC1=NCCCN1
InChIInChI=1S/C17H33N3O/c1-3-5-14-20(15-6-4-2)17(21)11-8-7-10-16-18-12-9-13-19-16/h3-15H2,1-2H3,(H,18,19)
InChIKeyWBRPXQXDQGDTPL-UHFFFAOYSA-N
XLogP3.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Octadecanamide, N-(2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)-
CID 111944
N-(2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethyl)dodecanamide
CID 3018078
N-[2-(4,5-Dihydro-2-pentadecyl-1H-imidazol-1-YL)ethyl]hexadecan-1-amide
CID 3017980
2-Heptadecyl-1-methyl-1-[2-(octadecanoylamino)ethyl]-4,5-dihydro-1h-imidazol-1-ium
CID 61625
N-[2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide
CID 110037
1-(2-Undecylamidoethyl)-2-undecyl-2-imidazoline
CID 129771065
N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide
CID 116669
N-(2-(4,5-Dihydro-2-tridecyl-1H-imidazol-1-yl)ethyl)myristamide
CID 3018079
N-[2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]octadecanamide
CID 15187721
N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]hexadecanamide
CID 19788953
N-[2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
CID 21492341
N-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]octadecanamide
CID 54121576

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide?
The IUPAC name of N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide (CID 135150473) is N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide.
What is the SMILES notation for N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide?
The canonical SMILES for N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide is CCCCN(CCCC)C(=O)CCCCC1=NCCCN1.
What is the InChIKey of N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide?
The InChIKey is WBRPXQXDQGDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-5-14-20(15-6-4-2)17(21)11-8-7-10-16-18-12-9-13-19-16/h3-15H2,1-2H3,(H,18,19).
What are the key properties of N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide?
N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide has a molecular weight of 295.47 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide is sourced from PubChem (CID 135150473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).