2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide

C17H35NO3 — CID 175553520

IUPAC2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
SMILESCCCCCCCCCCC(C(=O)NCC(C)O)C(C)O
InChIInChI=1S/C17H35NO3/c1-4-5-6-7-8-9-10-11-12-16(15(3)20)17(21)18-13-14(2)19/h14-16,19-20H,4-13H2,1-3H3,(H,18,21)
InChIKeySIDWGULDDUYISB-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.01
Rot. Bonds13

About 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide

2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide (PubChem CID 175553520) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
PubChem CID175553520
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
SMILESCCCCCCCCCCC(C(=O)NCC(C)O)C(C)O
InChIInChI=1S/C17H35NO3/c1-4-5-6-7-8-9-10-11-12-16(15(3)20)17(21)18-13-14(2)19/h14-16,19-20H,4-13H2,1-3H3,(H,18,21)
InChIKeySIDWGULDDUYISB-UHFFFAOYSA-N
XLogP3.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.01
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

2-(1-hydroxyethyl)nonanoic acid
CID 87790479
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
1-hexyl-3-(2-hydroxypropyl)urea
CID 137320550
(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
(Z)-2-(1-hydroxyethyl)octadec-9-enoic acid
CID 141002833
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
henicosan-2-ol
CID 14151023

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide?
The IUPAC name of 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide (CID 175553520) is 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide.
What is the SMILES notation for 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide?
The canonical SMILES for 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide is CCCCCCCCCCC(C(=O)NCC(C)O)C(C)O.
What is the InChIKey of 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide?
The InChIKey is SIDWGULDDUYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-4-5-6-7-8-9-10-11-12-16(15(3)20)17(21)18-13-14(2)19/h14-16,19-20H,4-13H2,1-3H3,(H,18,21).
What are the key properties of 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide?
2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide has a molecular weight of 301.47 g/mol, XLogP of 3.01, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide is sourced from PubChem (CID 175553520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).