N,N-bis(hydroxymethyl)-2-propyloctadecanamide

C23H47NO3 — CID 139887023

IUPACN,N-bis(hydroxymethyl)-2-propyloctadecanamide
SMILESCCCCCCCCCCCCCCCCC(CCC)C(=O)N(CO)CO
InChIInChI=1S/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)23(27)24(20-25)21-26/h22,25-26H,3-21H2,1-2H3
InChIKeyAVKVPZKPZPXVER-UHFFFAOYSA-N
MW385.63 g/mol
LogP6.00
Rot. Bonds20

About N,N-bis(hydroxymethyl)-2-propyloctadecanamide

N,N-bis(hydroxymethyl)-2-propyloctadecanamide (PubChem CID 139887023) has the molecular formula C23H47NO3 and a molecular weight of 385.63 g/mol. Its IUPAC name is N,N-bis(hydroxymethyl)-2-propyloctadecanamide.

Molecular Properties

Compound NameN,N-bis(hydroxymethyl)-2-propyloctadecanamide
PubChem CID139887023
Molecular FormulaC23H47NO3
Molecular Weight385.63 g/mol
Exact Mass385.36
IUPAC NameN,N-bis(hydroxymethyl)-2-propyloctadecanamide
SMILESCCCCCCCCCCCCCCCCC(CCC)C(=O)N(CO)CO
InChIInChI=1S/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)23(27)24(20-25)21-26/h22,25-26H,3-21H2,1-2H3
InChIKeyAVKVPZKPZPXVER-UHFFFAOYSA-N
XLogP6.00
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.63
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,N-bis(hydroxymethyl)decanamide
CID 139887025
N,N-diethyl-2-octyldodecanamide
CID 54517458
(Z)-12-hydroxy-N,N-bis(hydroxymethyl)-2-propyloctadec-9-enamide
CID 139887026
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
N,N,N',N'-tetraethyl-2,8-bis(hexadec-7-enyl)nonanediamide
CID 91497210
2-[2-[bis(hydroxymethyl)amino]-2-oxoethyl]dodecanoic acid
CID 140660056
hydroxymethyl 2-propyldodecanoate
CID 175526822
N,N,N',N'-tetraethyl-2,8-bis[8-[(2S,3S)-3-octyloxiran-2-yl]octyl]nonanediamide
CID 90908048
3-[bis(2-hydroxyethyl)carbamoyl]tridecanoic acid
CID 101279167
2-(4-hydroxybutyl)octadecanoic acid
CID 88766543
2-propylnonanoyl 2-propylnonanoate
CID 54359138

Frequently Asked Questions

What is the IUPAC name of N,N-bis(hydroxymethyl)-2-propyloctadecanamide?
The IUPAC name of N,N-bis(hydroxymethyl)-2-propyloctadecanamide (CID 139887023) is N,N-bis(hydroxymethyl)-2-propyloctadecanamide.
What is the SMILES notation for N,N-bis(hydroxymethyl)-2-propyloctadecanamide?
The canonical SMILES for N,N-bis(hydroxymethyl)-2-propyloctadecanamide is CCCCCCCCCCCCCCCCC(CCC)C(=O)N(CO)CO.
What is the InChIKey of N,N-bis(hydroxymethyl)-2-propyloctadecanamide?
The InChIKey is AVKVPZKPZPXVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)23(27)24(20-25)21-26/h22,25-26H,3-21H2,1-2H3.
What are the key properties of N,N-bis(hydroxymethyl)-2-propyloctadecanamide?
N,N-bis(hydroxymethyl)-2-propyloctadecanamide has a molecular weight of 385.63 g/mol, XLogP of 6.00, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(hydroxymethyl)-2-propyloctadecanamide is sourced from PubChem (CID 139887023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).