N-(1,3-dihydroxypropan-2-yl)tridecanamide

C16H33NO3 — CID 87498301

IUPACN-(1,3-dihydroxypropan-2-yl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NC(CO)CO
InChIInChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(20)17-15(13-18)14-19/h15,18-19H,2-14H2,1H3,(H,17,20)
InChIKeyJBXQURGIATWRID-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.77
Rot. Bonds14

About N-(1,3-dihydroxypropan-2-yl)tridecanamide

N-(1,3-dihydroxypropan-2-yl)tridecanamide (PubChem CID 87498301) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)tridecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)tridecanamide
PubChem CID87498301
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC NameN-(1,3-dihydroxypropan-2-yl)tridecanamide
SMILESCCCCCCCCCCCCC(=O)NC(CO)CO
InChIInChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(20)17-15(13-18)14-19/h15,18-19H,2-14H2,1H3,(H,17,20)
InChIKeyJBXQURGIATWRID-UHFFFAOYSA-N
XLogP2.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.77
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

N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-pentan-3-yldocosanamide
CID 123339332
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxohexatetracontanamide
CID 57005666
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
CID 54249823
N-(1-hydroxyicosan-2-yl)-12-oxopentacosanamide
CID 54427121
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-[(2R)-1,4-dihydroxytetradecan-2-yl]tetradecanamide
CID 59040546
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163
N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide
CID 22971680
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)tridecanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)tridecanamide (CID 87498301) is N-(1,3-dihydroxypropan-2-yl)tridecanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)tridecanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)tridecanamide is CCCCCCCCCCCCC(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)tridecanamide?
The InChIKey is JBXQURGIATWRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(20)17-15(13-18)14-19/h15,18-19H,2-14H2,1H3,(H,17,20).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)tridecanamide?
N-(1,3-dihydroxypropan-2-yl)tridecanamide has a molecular weight of 287.44 g/mol, XLogP of 2.77, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)tridecanamide is sourced from PubChem (CID 87498301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).