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'}

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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).