N,N-dimethyl-2-methylideneicosanamide

C23H45NO — CID 175666478

IUPACN,N-dimethyl-2-methylideneicosanamide
SMILESC=C(CCCCCCCCCCCCCCCCCC)C(=O)N(C)C
InChIInChI=1S/C23H45NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(25)24(3)4/h2,5-21H2,1,3-4H3
InChIKeyPIUQOJNTNYDKFI-UHFFFAOYSA-N
MW351.62 g/mol
LogP7.28
Rot. Bonds18

About N,N-dimethyl-2-methylideneicosanamide

N,N-dimethyl-2-methylideneicosanamide (PubChem CID 175666478) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is N,N-dimethyl-2-methylideneicosanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-methylideneicosanamide
PubChem CID175666478
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC NameN,N-dimethyl-2-methylideneicosanamide
SMILESC=C(CCCCCCCCCCCCCCCCCC)C(=O)N(C)C
InChIInChI=1S/C23H45NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(25)24(3)4/h2,5-21H2,1,3-4H3
InChIKeyPIUQOJNTNYDKFI-UHFFFAOYSA-N
XLogP7.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylideneicosanamide?
The IUPAC name of N,N-dimethyl-2-methylideneicosanamide (CID 175666478) is N,N-dimethyl-2-methylideneicosanamide.
What is the SMILES notation for N,N-dimethyl-2-methylideneicosanamide?
The canonical SMILES for N,N-dimethyl-2-methylideneicosanamide is C=C(CCCCCCCCCCCCCCCCCC)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-methylideneicosanamide?
The InChIKey is PIUQOJNTNYDKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(25)24(3)4/h2,5-21H2,1,3-4H3.
What are the key properties of N,N-dimethyl-2-methylideneicosanamide?
N,N-dimethyl-2-methylideneicosanamide has a molecular weight of 351.62 g/mol, XLogP of 7.28, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylideneicosanamide is sourced from PubChem (CID 175666478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).