4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide

C13H20N2O2 — CID 43500357

IUPAC4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
SMILESCN(C)Cc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)10-11-4-6-12(7-5-11)13(17)14-8-3-9-16/h4-7,16H,3,8-10H2,1-2H3,(H,14,17)
InChIKeyCVYNEOKDMMPAIW-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.86
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide

4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide (PubChem CID 43500357) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
PubChem CID43500357
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
SMILESCN(C)Cc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)10-11-4-6-12(7-5-11)13(17)14-8-3-9-16/h4-7,16H,3,8-10H2,1-2H3,(H,14,17)
InChIKeyCVYNEOKDMMPAIW-UHFFFAOYSA-N
XLogP0.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
CID 79469254
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
4-[(dimethylamino)methyl]-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]benzamide
CID 56790596
3-[[4-[[deuteriomethyl(methyl)amino]methyl]benzoyl]amino]propanoic acid
CID 59032279
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
CID 103919178

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide (CID 43500357) is 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide is CN(C)Cc1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide?
The InChIKey is CVYNEOKDMMPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)10-11-4-6-12(7-5-11)13(17)14-8-3-9-16/h4-7,16H,3,8-10H2,1-2H3,(H,14,17).
What are the key properties of 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide?
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 43500357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).