6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid

C16H24N2O3 — CID 104547644

IUPAC6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
SMILESCNCCc1ccccc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-17-12-10-13-7-4-5-8-14(13)16(21)18-11-6-2-3-9-15(19)20/h4-5,7-8,17H,2-3,6,9-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyNVJNSFHYRIHBJZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.82
Rot. Bonds10

About 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid

6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid (PubChem CID 104547644) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
PubChem CID104547644
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
SMILESCNCCc1ccccc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-17-12-10-13-7-4-5-8-14(13)16(21)18-11-6-2-3-9-15(19)20/h4-5,7-8,17H,2-3,6,9-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyNVJNSFHYRIHBJZ-UHFFFAOYSA-N
XLogP1.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
5-[[2-(methoxymethyl)benzoyl]amino]pentanoic acid
CID 62031956
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
2-[2-(methylamino)ethyl]-N-(3-phenylmethoxypropyl)benzamide
CID 113425680
2-(methylaminomethyl)-N-(7-oxooctyl)benzamide
CID 143733170
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid (CID 104547644) is 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid is CNCCc1ccccc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid?
The InChIKey is NVJNSFHYRIHBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-12-10-13-7-4-5-8-14(13)16(21)18-11-6-2-3-9-15(19)20/h4-5,7-8,17H,2-3,6,9-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid?
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.82, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid is sourced from PubChem (CID 104547644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).