N-heptadecyl-2,3-dihydroxypropanamide

C20H41NO3 — CID 90685378

IUPACN-heptadecyl-2,3-dihydroxypropanamide
SMILESCCCCCCCCCCCCCCCCCNC(=O)C(O)CO
InChIInChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20(24)19(23)18-22/h19,22-23H,2-18H2,1H3,(H,21,24)
InChIKeyPEHBDNFXHOTAGW-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.33
Rot. Bonds18

About N-heptadecyl-2,3-dihydroxypropanamide

N-heptadecyl-2,3-dihydroxypropanamide (PubChem CID 90685378) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is N-heptadecyl-2,3-dihydroxypropanamide.

Molecular Properties

Compound NameN-heptadecyl-2,3-dihydroxypropanamide
PubChem CID90685378
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC NameN-heptadecyl-2,3-dihydroxypropanamide
SMILESCCCCCCCCCCCCCCCCCNC(=O)C(O)CO
InChIInChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20(24)19(23)18-22/h19,22-23H,2-18H2,1H3,(H,21,24)
InChIKeyPEHBDNFXHOTAGW-UHFFFAOYSA-N
XLogP4.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.33
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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Frequently Asked Questions

What is the IUPAC name of N-heptadecyl-2,3-dihydroxypropanamide?
The IUPAC name of N-heptadecyl-2,3-dihydroxypropanamide (CID 90685378) is N-heptadecyl-2,3-dihydroxypropanamide.
What is the SMILES notation for N-heptadecyl-2,3-dihydroxypropanamide?
The canonical SMILES for N-heptadecyl-2,3-dihydroxypropanamide is CCCCCCCCCCCCCCCCCNC(=O)C(O)CO.
What is the InChIKey of N-heptadecyl-2,3-dihydroxypropanamide?
The InChIKey is PEHBDNFXHOTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20(24)19(23)18-22/h19,22-23H,2-18H2,1H3,(H,21,24).
What are the key properties of N-heptadecyl-2,3-dihydroxypropanamide?
N-heptadecyl-2,3-dihydroxypropanamide has a molecular weight of 343.55 g/mol, XLogP of 4.33, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptadecyl-2,3-dihydroxypropanamide is sourced from PubChem (CID 90685378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).