N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide

C24H44N2O2 — CID 166800725

IUPACN,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide
SMILESCCCCCCC(C)C(=O)N(C)C[C@H]1CN(CC#CC(C)CCCC)CCO1
InChIInChI=1S/C24H44N2O2/c1-6-8-10-11-15-22(4)24(27)25(5)19-23-20-26(17-18-28-23)16-12-14-21(3)13-9-7-2/h21-23H,6-11,13,15-20H2,1-5H3/t21?,22?,23-/m0/s1
InChIKeyPHWOTDODPWJLFF-VNXZQDSDSA-N
MW392.63 g/mol
LogP4.58
Rot. Bonds12

About N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide

N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide (PubChem CID 166800725) has the molecular formula C24H44N2O2 and a molecular weight of 392.63 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide
PubChem CID166800725
Molecular FormulaC24H44N2O2
Molecular Weight392.63 g/mol
Exact Mass392.34
IUPAC NameN,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide
SMILESCCCCCCC(C)C(=O)N(C)C[C@H]1CN(CC#CC(C)CCCC)CCO1
InChIInChI=1S/C24H44N2O2/c1-6-8-10-11-15-22(4)24(27)25(5)19-23-20-26(17-18-28-23)16-12-14-21(3)13-9-7-2/h21-23H,6-11,13,15-20H2,1-5H3/t21?,22?,23-/m0/s1
InChIKeyPHWOTDODPWJLFF-VNXZQDSDSA-N
XLogP4.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane
CID 157327829
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide
CID 170041367
N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
CID 167243582
4-dodecyl-2-ethylmorpholine
CID 4616518

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide?
The IUPAC name of N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide (CID 166800725) is N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide.
What is the SMILES notation for N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide?
The canonical SMILES for N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide is CCCCCCC(C)C(=O)N(C)C[C@H]1CN(CC#CC(C)CCCC)CCO1.
What is the InChIKey of N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide?
The InChIKey is PHWOTDODPWJLFF-VNXZQDSDSA-N. The full InChI is InChI=1S/C24H44N2O2/c1-6-8-10-11-15-22(4)24(27)25(5)19-23-20-26(17-18-28-23)16-12-14-21(3)13-9-7-2/h21-23H,6-11,13,15-20H2,1-5H3/t21?,22?,23-/m0/s1.
What are the key properties of N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide?
N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide has a molecular weight of 392.63 g/mol, XLogP of 4.58, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide is sourced from PubChem (CID 166800725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).