N-[3-(dimethylamino)propyl]benzamide

C12H18N2O — CID 2332594

IUPACN-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)
InChIKeyUKXSMVIDPJCDAQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.37
Rot. Bonds5

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

N-[3-(dimethylamino)propyl]benzamide (PubChem CID 2332594) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]benzamide
PubChem CID2332594
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)
InChIKeyUKXSMVIDPJCDAQ-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]benzamide (CID 2332594) is N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is UKXSMVIDPJCDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15).
What are the key properties of N-[3-(dimethylamino)propyl]benzamide?
N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 206.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 2332594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).