N-(3-imidazol-1-ylpropyl)tridecanamide

C19H35N3O — CID 142486027

IUPACN-(3-imidazol-1-ylpropyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C19H35N3O/c1-2-3-4-5-6-7-8-9-10-11-13-19(23)21-14-12-16-22-17-15-20-18-22/h15,17-18H,2-14,16H2,1H3,(H,21,23)
InChIKeyNBLFCZMBNWDPNR-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.70
Rot. Bonds15

About N-(3-imidazol-1-ylpropyl)tridecanamide

N-(3-imidazol-1-ylpropyl)tridecanamide (PubChem CID 142486027) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)tridecanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)tridecanamide
PubChem CID142486027
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC NameN-(3-imidazol-1-ylpropyl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C19H35N3O/c1-2-3-4-5-6-7-8-9-10-11-13-19(23)21-14-12-16-22-17-15-20-18-22/h15,17-18H,2-14,16H2,1H3,(H,21,23)
InChIKeyNBLFCZMBNWDPNR-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.70
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

7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
carbonic acid;1-dodecylimidazole
CID 175596781
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
acetic acid;1-decylimidazole
CID 175546754
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
1-nonylimidazole;hydrobromide
CID 175434544
1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
CID 111386093
nonyl 8-(3-imidazol-1-ylpropylamino)octanoate
CID 177020233
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)tridecanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)tridecanamide (CID 142486027) is N-(3-imidazol-1-ylpropyl)tridecanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)tridecanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)tridecanamide is CCCCCCCCCCCCC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)tridecanamide?
The InChIKey is NBLFCZMBNWDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-2-3-4-5-6-7-8-9-10-11-13-19(23)21-14-12-16-22-17-15-20-18-22/h15,17-18H,2-14,16H2,1H3,(H,21,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)tridecanamide?
N-(3-imidazol-1-ylpropyl)tridecanamide has a molecular weight of 321.51 g/mol, XLogP of 4.70, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)tridecanamide is sourced from PubChem (CID 142486027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).