2-methyl-N,N-bis(2-propoxyethyl)butanamide

C15H31NO3 — CID 59687724

IUPAC2-methyl-N,N-bis(2-propoxyethyl)butanamide
SMILESCCCOCCN(CCOCCC)C(=O)C(C)CC
InChIInChI=1S/C15H31NO3/c1-5-10-18-12-8-16(9-13-19-11-6-2)15(17)14(4)7-3/h14H,5-13H2,1-4H3
InChIKeyWPFCUGBNGWOFKP-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.71
Rot. Bonds12

About 2-methyl-N,N-bis(2-propoxyethyl)butanamide

2-methyl-N,N-bis(2-propoxyethyl)butanamide (PubChem CID 59687724) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-propoxyethyl)butanamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-propoxyethyl)butanamide
PubChem CID59687724
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-methyl-N,N-bis(2-propoxyethyl)butanamide
SMILESCCCOCCN(CCOCCC)C(=O)C(C)CC
InChIInChI=1S/C15H31NO3/c1-5-10-18-12-8-16(9-13-19-11-6-2)15(17)14(4)7-3/h14H,5-13H2,1-4H3
InChIKeyWPFCUGBNGWOFKP-UHFFFAOYSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N,N-bis(2-propoxyethyl)butanamide 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-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide
CID 155707433
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
2-bromo-N,N-bis(2-ethoxyethyl)butanamide
CID 82966254
N,2-dimethyl-N-propylbutanamide
CID 89368936
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
propyl (2R)-2-methylbutanoate
CID 86306230
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
3-methyl-1-propoxypentane
CID 123388243
N,N-dibutyl-2-methylpentanamide
CID 2904869

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(2-propoxyethyl)butanamide?
The IUPAC name of 2-methyl-N,N-bis(2-propoxyethyl)butanamide (CID 59687724) is 2-methyl-N,N-bis(2-propoxyethyl)butanamide.
What is the SMILES notation for 2-methyl-N,N-bis(2-propoxyethyl)butanamide?
The canonical SMILES for 2-methyl-N,N-bis(2-propoxyethyl)butanamide is CCCOCCN(CCOCCC)C(=O)C(C)CC.
What is the InChIKey of 2-methyl-N,N-bis(2-propoxyethyl)butanamide?
The InChIKey is WPFCUGBNGWOFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-5-10-18-12-8-16(9-13-19-11-6-2)15(17)14(4)7-3/h14H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N,N-bis(2-propoxyethyl)butanamide?
2-methyl-N,N-bis(2-propoxyethyl)butanamide has a molecular weight of 273.42 g/mol, XLogP of 2.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-propoxyethyl)butanamide is sourced from PubChem (CID 59687724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).