N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide

C23H48N2O — CID 10714096

IUPACN-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
SMILESCCCCCCCCCCCCCCCCCN(C)CCN(C)C(C)=O
InChIInChI=1S/C23H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(3)21-22-25(4)23(2)26/h5-22H2,1-4H3
InChIKeyQXTPZXSCPBYHQO-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.27
Rot. Bonds19

About N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide

N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide (PubChem CID 10714096) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
PubChem CID10714096
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC NameN-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
SMILESCCCCCCCCCCCCCCCCCN(C)CCN(C)C(C)=O
InChIInChI=1S/C23H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(3)21-22-25(4)23(2)26/h5-22H2,1-4H3
InChIKeyQXTPZXSCPBYHQO-UHFFFAOYSA-N
XLogP6.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.27
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-decyl-N-methylacetamide
CID 22114742
ethane;N-methyl-N-octylacetamide
CID 142531459
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
4-[methyl(pentyl)amino]butan-2-one
CID 23332894

Frequently Asked Questions

What is the IUPAC name of N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide (CID 10714096) is N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide is CCCCCCCCCCCCCCCCCN(C)CCN(C)C(C)=O.
What is the InChIKey of N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide?
The InChIKey is QXTPZXSCPBYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(3)21-22-25(4)23(2)26/h5-22H2,1-4H3.
What are the key properties of N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide?
N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide has a molecular weight of 368.65 g/mol, XLogP of 6.27, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide is sourced from PubChem (CID 10714096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).