N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide

C14H23N3O — CID 66385636

IUPACN-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCCN(C)C
InChIInChI=1S/C14H23N3O/c1-12(18)16-14-8-5-4-7-13(14)11-15-9-6-10-17(2)3/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,16,18)
InChIKeyXVQRFNCKEUVQER-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds7

About N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide

N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide (PubChem CID 66385636) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
PubChem CID66385636
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCCN(C)C
InChIInChI=1S/C14H23N3O/c1-12(18)16-14-8-5-4-7-13(14)11-15-9-6-10-17(2)3/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,16,18)
InChIKeyXVQRFNCKEUVQER-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
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-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetamide
CID 115474667
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
CID 106335613
N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
CID 66385443
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
CID 103838945
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide (CID 66385636) is N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCCCN(C)C.
What is the InChIKey of N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide?
The InChIKey is XVQRFNCKEUVQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(18)16-14-8-5-4-7-13(14)11-15-9-6-10-17(2)3/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide?
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 66385636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).