6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid

C16H24N2O3 — CID 57495425

IUPAC6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
SMILESCN(C)c1ccc(CC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-18(2)14-9-7-13(8-10-14)12-15(19)17-11-5-3-4-6-16(20)21/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyMOXQTCJRPXWTOI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.06
Rot. Bonds9

About 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid

6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid (PubChem CID 57495425) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
PubChem CID57495425
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
SMILESCN(C)c1ccc(CC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-18(2)14-9-7-13(8-10-14)12-15(19)17-11-5-3-4-6-16(20)21/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyMOXQTCJRPXWTOI-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
7-[[2-(4-bromophenyl)acetyl]amino]heptanoic acid
CID 24702414
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
6-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]hexanoic acid
CID 119220006
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid (CID 57495425) is 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid is CN(C)c1ccc(CC(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid?
The InChIKey is MOXQTCJRPXWTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(2)14-9-7-13(8-10-14)12-15(19)17-11-5-3-4-6-16(20)21/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid?
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid is sourced from PubChem (CID 57495425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).