N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide

C23H47NO2 — CID 88650874

IUPACN-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide
SMILESCCCCCCCCCC(CO)C(CCCCCCCC)N(C)C(C)=O
InChIInChI=1S/C23H47NO2/c1-5-7-9-11-13-14-16-18-22(20-25)23(24(4)21(3)26)19-17-15-12-10-8-6-2/h22-23,25H,5-20H2,1-4H3
InChIKeyJTPWTKIXGJKFTG-UHFFFAOYSA-N
MW369.63 g/mol
LogP6.33
Rot. Bonds18

About N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide

N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide (PubChem CID 88650874) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide
PubChem CID88650874
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC NameN-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide
SMILESCCCCCCCCCC(CO)C(CCCCCCCC)N(C)C(C)=O
InChIInChI=1S/C23H47NO2/c1-5-7-9-11-13-14-16-18-22(20-25)23(24(4)21(3)26)19-17-15-12-10-8-6-2/h22-23,25H,5-20H2,1-4H3
InChIKeyJTPWTKIXGJKFTG-UHFFFAOYSA-N
XLogP6.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-(hydroxymethyl)nonanoic acid
CID 57216991
2-butan-2-ylheptan-1-ol
CID 86041006
2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
2-pentan-2-ylnonan-1-ol
CID 23316007
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
acetic acid;octane-1,2-diol
CID 71443933
3-dodecyl-2-methylicosanethioic S-acid
CID 87328108
2-(hydroxymethyl)docosyl N,N-dimethylcarbamate
CID 157446903
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459
1-acetyloxytetradecyl acetate
CID 88785738

Frequently Asked Questions

What is the IUPAC name of N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide?
The IUPAC name of N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide (CID 88650874) is N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide.
What is the SMILES notation for N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide?
The canonical SMILES for N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide is CCCCCCCCCC(CO)C(CCCCCCCC)N(C)C(C)=O.
What is the InChIKey of N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide?
The InChIKey is JTPWTKIXGJKFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-5-7-9-11-13-14-16-18-22(20-25)23(24(4)21(3)26)19-17-15-12-10-8-6-2/h22-23,25H,5-20H2,1-4H3.
What are the key properties of N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide?
N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide has a molecular weight of 369.63 g/mol, XLogP of 6.33, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide is sourced from PubChem (CID 88650874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).