N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide

C20H38N4O — CID 175568341

IUPACN-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide
SMILESCCCCCCCCCC(CCCNC(=O)CCC)c1cnc(N)[nH]1
InChIInChI=1S/C20H38N4O/c1-3-5-6-7-8-9-10-13-17(18-16-23-20(21)24-18)14-11-15-22-19(25)12-4-2/h16-17H,3-15H2,1-2H3,(H,22,25)(H3,21,23,24)
InChIKeyIYMBVQQNEOBBKC-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.91
Rot. Bonds15

About N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide

N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide (PubChem CID 175568341) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide
PubChem CID175568341
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide
SMILESCCCCCCCCCC(CCCNC(=O)CCC)c1cnc(N)[nH]1
InChIInChI=1S/C20H38N4O/c1-3-5-6-7-8-9-10-13-17(18-16-23-20(21)24-18)14-11-15-22-19(25)12-4-2/h16-17H,3-15H2,1-2H3,(H,22,25)(H3,21,23,24)
InChIKeyIYMBVQQNEOBBKC-UHFFFAOYSA-N
XLogP4.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
CID 25178089
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide;hydrochloride
CID 25178088
N-(4-bromododecyl)butanamide
CID 174708540
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
ethane;N-octylhexanamide
CID 177149935
ethane;N-heptylhexadecanamide
CID 142440540
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
1-amino-4-(dodecylamino)-4-oxobutane-1-sulfonic acid
CID 154356548
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
7-hydroxy-N-octadecyloctadecanamide
CID 57160535

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide (CID 175568341) is N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide is CCCCCCCCCC(CCCNC(=O)CCC)c1cnc(N)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide?
The InChIKey is IYMBVQQNEOBBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-3-5-6-7-8-9-10-13-17(18-16-23-20(21)24-18)14-11-15-22-19(25)12-4-2/h16-17H,3-15H2,1-2H3,(H,22,25)(H3,21,23,24).
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide?
N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide has a molecular weight of 350.55 g/mol, XLogP of 4.91, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1H-imidazol-5-yl)tridecyl]butanamide is sourced from PubChem (CID 175568341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).