N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide

C20H41N2O2- — CID 88800972

IUPACN-[3-(dimethylamino)propyl]-N-oxidopentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)N([O-])CCCN(C)C
InChIInChI=1S/C20H41N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)22(24)19-16-18-21(2)3/h4-19H2,1-3H3/q-1
InChIKeyXXXHAJMGYGXRCY-UHFFFAOYSA-N
MW341.56 g/mol
LogP5.36
Rot. Bonds17

About N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide

N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide (PubChem CID 88800972) has the molecular formula C20H41N2O2- and a molecular weight of 341.56 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-oxidopentadecanamide
PubChem CID88800972
Molecular FormulaC20H41N2O2-
Molecular Weight341.56 g/mol
Exact Mass341.32
IUPAC NameN-[3-(dimethylamino)propyl]-N-oxidopentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)N([O-])CCCN(C)C
InChIInChI=1S/C20H41N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)22(24)19-16-18-21(2)3/h4-19H2,1-3H3/q-1
InChIKeyXXXHAJMGYGXRCY-UHFFFAOYSA-N
XLogP5.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.56
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
1-(dimethylamino)nonan-3-one
CID 115345762
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N,N-dimethyldecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;N,N-dimethylmethanamine;N,N-dimethyloctadecan-1-amine;N,N-dimethylundecanamide;N-dodecyl-N-methyldodecan-1-amine;N-heptadecanoyl-N-methylheptadecanamide;N-hexadecyl-N-methylhexadecan-1-amine;N-icosyl-N-methylicosan-1-amine;N-methyl-N-nonadecanoylnonadecanamide;N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tridecanoyltridecanamide
CID 158819919
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyldodecanamide;hydrochloride
CID 173149987

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide (CID 88800972) is N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide is CCCCCCCCCCCCCCC(=O)N([O-])CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide?
The InChIKey is XXXHAJMGYGXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)22(24)19-16-18-21(2)3/h4-19H2,1-3H3/q-1.
What are the key properties of N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide?
N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide has a molecular weight of 341.56 g/mol, XLogP of 5.36, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-oxidopentadecanamide is sourced from PubChem (CID 88800972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).