N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide

C13H28N2O2 — CID 99791019

IUPACN-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide
SMILESCCCN(CCCN(C)C)C(=O)CCCOC
InChIInChI=1S/C13H28N2O2/c1-5-9-15(11-7-10-14(2)3)13(16)8-6-12-17-4/h5-12H2,1-4H3
InChIKeyAYQYVRVROCAVDZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.60
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide

N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide (PubChem CID 99791019) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide
PubChem CID99791019
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide
SMILESCCCN(CCCN(C)C)C(=O)CCCOC
InChIInChI=1S/C13H28N2O2/c1-5-9-15(11-7-10-14(2)3)13(16)8-6-12-17-4/h5-12H2,1-4H3
InChIKeyAYQYVRVROCAVDZ-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.60
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-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide (CID 99791019) is N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide is CCCN(CCCN(C)C)C(=O)CCCOC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide?
The InChIKey is AYQYVRVROCAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-9-15(11-7-10-14(2)3)13(16)8-6-12-17-4/h5-12H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide?
N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide is sourced from PubChem (CID 99791019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).