N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide

C29H51N3O2 — CID 54808879

IUPACN,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C29H51N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-25-28(33)31-27-22-20-26(21-23-27)29(34)32(5-2)6-3/h20-23,30H,4-19,24-25H2,1-3H3,(H,31,33)
InChIKeyVYDKJSGGYOJKGB-UHFFFAOYSA-N
MW473.75 g/mol
LogP7.18
Rot. Bonds21

About N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide (PubChem CID 54808879) has the molecular formula C29H51N3O2 and a molecular weight of 473.75 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
PubChem CID54808879
Molecular FormulaC29H51N3O2
Molecular Weight473.75 g/mol
Exact Mass473.40
IUPAC NameN,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
SMILESCCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C29H51N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-25-28(33)31-27-22-20-26(21-23-27)29(34)32(5-2)6-3/h20-23,30H,4-19,24-25H2,1-3H3,(H,31,33)
InChIKeyVYDKJSGGYOJKGB-UHFFFAOYSA-N
XLogP7.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 57.18
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

4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
ethyl 4-[[2-(pentylamino)acetyl]amino]benzoate
CID 109006003
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide (CID 54808879) is N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide is CCCCCCCCCCCCCCCCNCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide?
The InChIKey is VYDKJSGGYOJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-25-28(33)31-27-22-20-26(21-23-27)29(34)32(5-2)6-3/h20-23,30H,4-19,24-25H2,1-3H3,(H,31,33).
What are the key properties of N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide has a molecular weight of 473.75 g/mol, XLogP of 7.18, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54808879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).