N-(2-hydroxytridecan-2-yl)prop-2-enamide

C16H31NO2 — CID 141282485

IUPACN-(2-hydroxytridecan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(O)CCCCCCCCCCC
InChIInChI=1S/C16H31NO2/c1-4-6-7-8-9-10-11-12-13-14-16(3,19)17-15(18)5-2/h5,19H,2,4,6-14H2,1,3H3,(H,17,18)
InChIKeySCWSSESQHCDQNM-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.92
Rot. Bonds12

About N-(2-hydroxytridecan-2-yl)prop-2-enamide

N-(2-hydroxytridecan-2-yl)prop-2-enamide (PubChem CID 141282485) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-hydroxytridecan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxytridecan-2-yl)prop-2-enamide
PubChem CID141282485
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(2-hydroxytridecan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(O)CCCCCCCCCCC
InChIInChI=1S/C16H31NO2/c1-4-6-7-8-9-10-11-12-13-14-16(3,19)17-15(18)5-2/h5,19H,2,4,6-14H2,1,3H3,(H,17,18)
InChIKeySCWSSESQHCDQNM-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(prop-2-enoylamino)pentacosanoic acid
CID 158599101
2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
CID 175553153
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
ethyl 2-(prop-2-enoylamino)hexadecane-2-sulfonate
CID 174751414
N-(2-butyl-2-methyloctyl)prop-2-enamide
CID 130271966
N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729
sodium;ethyl 2-(prop-2-enoylamino)dodecane-2-sulfonate;hydride
CID 175299957
2-(prop-2-enoylamino)hexane-2-sulfonic acid
CID 88727238
tetrakis(prop-2-enoic acid);bis(tridecane-1,1,1-triol)
CID 159232683
N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide
CID 138622924
N-heptadecylprop-2-enamide
CID 20727742
4-amino-4-methylpentadec-1-en-3-one
CID 168863815

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxytridecan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-hydroxytridecan-2-yl)prop-2-enamide (CID 141282485) is N-(2-hydroxytridecan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxytridecan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxytridecan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(O)CCCCCCCCCCC.
What is the InChIKey of N-(2-hydroxytridecan-2-yl)prop-2-enamide?
The InChIKey is SCWSSESQHCDQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-6-7-8-9-10-11-12-13-14-16(3,19)17-15(18)5-2/h5,19H,2,4,6-14H2,1,3H3,(H,17,18).
What are the key properties of N-(2-hydroxytridecan-2-yl)prop-2-enamide?
N-(2-hydroxytridecan-2-yl)prop-2-enamide has a molecular weight of 269.43 g/mol, XLogP of 3.92, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxytridecan-2-yl)prop-2-enamide is sourced from PubChem (CID 141282485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).