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

C13H20N2O2 — CID 3117661

IUPACN-[3-(dimethylamino)propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-15(2)9-5-8-14-13(16)11-6-4-7-12(10-11)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
InChIKeyKLPYTQCAMGXQKM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-3-methoxybenzamide (PubChem CID 3117661) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methoxybenzamide
PubChem CID3117661
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC NameN-[3-(dimethylamino)propyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-15(2)9-5-8-14-13(16)11-6-4-7-12(10-11)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
InChIKeyKLPYTQCAMGXQKM-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.38
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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Related Compounds

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methoxybenzamide (CID 3117661) is N-[3-(dimethylamino)propyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methoxybenzamide?
The InChIKey is KLPYTQCAMGXQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)9-5-8-14-13(16)11-6-4-7-12(10-11)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methoxybenzamide?
N-[3-(dimethylamino)propyl]-3-methoxybenzamide has a molecular weight of 236.32 g/mol, XLogP of 1.38, 6 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-methoxybenzamide is sourced from PubChem (CID 3117661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).