N,N-dimethyl-3-octadecoxypropanamide

C23H47NO2 — CID 155355336

IUPACN,N-dimethyl-3-octadecoxypropanamide
SMILESCCCCCCCCCCCCCCCCCCOCCC(=O)N(C)C
InChIInChI=1S/C23H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23(25)24(2)3/h4-22H2,1-3H3
InChIKeyKSRJDXKLMPVDJX-UHFFFAOYSA-N
MW369.63 g/mol
LogP6.74
Rot. Bonds20

About N,N-dimethyl-3-octadecoxypropanamide

N,N-dimethyl-3-octadecoxypropanamide (PubChem CID 155355336) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is N,N-dimethyl-3-octadecoxypropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-octadecoxypropanamide
PubChem CID155355336
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC NameN,N-dimethyl-3-octadecoxypropanamide
SMILESCCCCCCCCCCCCCCCCCCOCCC(=O)N(C)C
InChIInChI=1S/C23H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23(25)24(2)3/h4-22H2,1-3H3
InChIKeyKSRJDXKLMPVDJX-UHFFFAOYSA-N
XLogP6.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-hexoxy-N-methylpropanamide
CID 87235746
3-butoxy-N,N-dimethylpropanamide;3-methoxy-N,N-dimethylpropanamide
CID 141458250
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213
3-hexoxy-N,N-di(propan-2-yl)propanamide
CID 87235356
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
4-nonoxybutan-2-one
CID 175477614
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
1-hexoxypentan-3-one
CID 88538290
3-dodecoxypropanamide
CID 22235134
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
N,N-diethyl-4-hexoxybutanamide
CID 176838101

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-octadecoxypropanamide?
The IUPAC name of N,N-dimethyl-3-octadecoxypropanamide (CID 155355336) is N,N-dimethyl-3-octadecoxypropanamide.
What is the SMILES notation for N,N-dimethyl-3-octadecoxypropanamide?
The canonical SMILES for N,N-dimethyl-3-octadecoxypropanamide is CCCCCCCCCCCCCCCCCCOCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-octadecoxypropanamide?
The InChIKey is KSRJDXKLMPVDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23(25)24(2)3/h4-22H2,1-3H3.
What are the key properties of N,N-dimethyl-3-octadecoxypropanamide?
N,N-dimethyl-3-octadecoxypropanamide has a molecular weight of 369.63 g/mol, XLogP of 6.74, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-octadecoxypropanamide is sourced from PubChem (CID 155355336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).