N-[3-(dimethylamino)propyl]-3-methoxypropanamide

C9H20N2O2 — CID 3097421

IUPACN-[3-(dimethylamino)propyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCCN(C)C
InChIInChI=1S/C9H20N2O2/c1-11(2)7-4-6-10-9(12)5-8-13-3/h4-8H2,1-3H3,(H,10,12)
InChIKeyBMMPNFPHPMFYPI-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.09
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-methoxypropanamide

N-[3-(dimethylamino)propyl]-3-methoxypropanamide (PubChem CID 3097421) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methoxypropanamide
PubChem CID3097421
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[3-(dimethylamino)propyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCCN(C)C
InChIInChI=1S/C9H20N2O2/c1-11(2)7-4-6-10-9(12)5-8-13-3/h4-8H2,1-3H3,(H,10,12)
InChIKeyBMMPNFPHPMFYPI-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
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-[3-(dimethylamino)propyl]-3-methoxypropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methoxypropanamide (CID 3097421) is N-[3-(dimethylamino)propyl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methoxypropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methoxypropanamide is COCCC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methoxypropanamide?
The InChIKey is BMMPNFPHPMFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-11(2)7-4-6-10-9(12)5-8-13-3/h4-8H2,1-3H3,(H,10,12).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methoxypropanamide?
N-[3-(dimethylamino)propyl]-3-methoxypropanamide has a molecular weight of 188.27 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methoxypropanamide is sourced from PubChem (CID 3097421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).