2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide

C28H56N2O2 — CID 170041367

IUPAC2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide
SMILESCCCCCCC(CCCC)C(=O)N(C)CC[C@@H]1CN(CCCC(CC)CCC)CCO1
InChIInChI=1S/C28H56N2O2/c1-6-10-12-13-18-26(17-11-7-2)28(31)29(5)21-19-27-24-30(22-23-32-27)20-14-16-25(9-4)15-8-3/h25-27H,6-24H2,1-5H3/t25?,26?,27-/m1/s1
InChIKeyKMEXAITXPLTXQM-WZDPVOGJSA-N
MW452.77 g/mol
LogP6.92
Rot. Bonds19

About 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide

2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide (PubChem CID 170041367) has the molecular formula C28H56N2O2 and a molecular weight of 452.77 g/mol. Its IUPAC name is 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide.

Molecular Properties

Compound Name2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide
PubChem CID170041367
Molecular FormulaC28H56N2O2
Molecular Weight452.77 g/mol
Exact Mass452.43
IUPAC Name2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide
SMILESCCCCCCC(CCCC)C(=O)N(C)CC[C@@H]1CN(CCCC(CC)CCC)CCO1
InChIInChI=1S/C28H56N2O2/c1-6-10-12-13-18-26(17-11-7-2)28(31)29(5)21-19-27-24-30(22-23-32-27)20-14-16-25(9-4)15-8-3/h25-27H,6-24H2,1-5H3/t25?,26?,27-/m1/s1
InChIKeyKMEXAITXPLTXQM-WZDPVOGJSA-N
XLogP6.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.77
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide 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-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide
CID 155750800
(2S)-2-butyl-4-decylmorpholine
CID 98152093
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N-methyl-N-(methylsulfanylmethyl)-2-[(2R)-4-pentylmorpholin-2-yl]ethanamine
CID 138727292
N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
CID 170952081
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
4-dodecyl-2-ethylmorpholine
CID 4616518
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide?
The IUPAC name of 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide (CID 170041367) is 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide.
What is the SMILES notation for 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide?
The canonical SMILES for 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide is CCCCCCC(CCCC)C(=O)N(C)CC[C@@H]1CN(CCCC(CC)CCC)CCO1.
What is the InChIKey of 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide?
The InChIKey is KMEXAITXPLTXQM-WZDPVOGJSA-N. The full InChI is InChI=1S/C28H56N2O2/c1-6-10-12-13-18-26(17-11-7-2)28(31)29(5)21-19-27-24-30(22-23-32-27)20-14-16-25(9-4)15-8-3/h25-27H,6-24H2,1-5H3/t25?,26?,27-/m1/s1.
What are the key properties of 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide?
2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide has a molecular weight of 452.77 g/mol, XLogP of 6.92, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[2-[(2R)-4-(4-ethylheptyl)morpholin-2-yl]ethyl]-N-methyloctanamide is sourced from PubChem (CID 170041367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).