N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide

C15H30N2O3 — CID 21026432

IUPACN-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)CCN(CCC)C(=O)CC
InChIInChI=1S/C15H30N2O3/c1-5-9-17(14(18)7-3)11-10-16(4)15(19)8-13-20-12-6-2/h5-13H2,1-4H3
InChIKeyQSZXNXIIXLJZHQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.91
Rot. Bonds11

About N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide

N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide (PubChem CID 21026432) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide
PubChem CID21026432
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)CCN(CCC)C(=O)CC
InChIInChI=1S/C15H30N2O3/c1-5-9-17(14(18)7-3)11-10-16(4)15(19)8-13-20-12-6-2/h5-13H2,1-4H3
InChIKeyQSZXNXIIXLJZHQ-UHFFFAOYSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.91
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 N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide?
The IUPAC name of N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide (CID 21026432) is N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide.
What is the SMILES notation for N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide?
The canonical SMILES for N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide is CCCOCCC(=O)N(C)CCN(CCC)C(=O)CC.
What is the InChIKey of N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide?
The InChIKey is QSZXNXIIXLJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-9-17(14(18)7-3)11-10-16(4)15(19)8-13-20-12-6-2/h5-13H2,1-4H3.
What are the key properties of N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide?
N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide has a molecular weight of 286.42 g/mol, XLogP of 1.91, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[propanoyl(propyl)amino]ethyl]-3-propoxypropanamide is sourced from PubChem (CID 21026432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).