N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide

C20H42N2O3 — CID 177260633

IUPACN-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(C)CCCCOCCOCCCC(=O)N(C)CC(C)C
InChIInChI=1S/C20H42N2O3/c1-18(2)16-21(5)11-7-8-12-24-14-15-25-13-9-10-20(23)22(6)17-19(3)4/h18-19H,7-17H2,1-6H3
InChIKeyQHICUOZPCZMUGU-UHFFFAOYSA-N
MW358.57 g/mol
LogP3.28
Rot. Bonds16

About N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide

N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide (PubChem CID 177260633) has the molecular formula C20H42N2O3 and a molecular weight of 358.57 g/mol. Its IUPAC name is N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide
PubChem CID177260633
Molecular FormulaC20H42N2O3
Molecular Weight358.57 g/mol
Exact Mass358.32
IUPAC NameN-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(C)CCCCOCCOCCCC(=O)N(C)CC(C)C
InChIInChI=1S/C20H42N2O3/c1-18(2)16-21(5)11-7-8-12-24-14-15-25-13-9-10-20(23)22(6)17-19(3)4/h18-19H,7-17H2,1-6H3
InChIKeyQHICUOZPCZMUGU-UHFFFAOYSA-N
XLogP3.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylpropyl)-5-propan-2-yloxypentanamide
CID 164715578
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631
N-methyl-N-(2-methylpropyl)-3-propan-2-yloxypropanamide
CID 164715630
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
2-methyl-3-[methyl(4-prop-2-enoxybutanoyl)amino]propanoic acid
CID 119228467

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide?
The IUPAC name of N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide (CID 177260633) is N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide is CC(C)CN(C)CCCCOCCOCCCC(=O)N(C)CC(C)C.
What is the InChIKey of N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide?
The InChIKey is QHICUOZPCZMUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O3/c1-18(2)16-21(5)11-7-8-12-24-14-15-25-13-9-10-20(23)22(6)17-19(3)4/h18-19H,7-17H2,1-6H3.
What are the key properties of N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide?
N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide has a molecular weight of 358.57 g/mol, XLogP of 3.28, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-[methyl(2-methylpropyl)amino]butoxy]ethoxy]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 177260633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).