N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide

C19H29N3O2 — CID 54813756

IUPACN-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
SMILESCCN(CC)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-3-22(4-2)14-18(23)20-17-12-10-15(11-13-17)19(24)21-16-8-6-5-7-9-16/h10-13,16H,3-9,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUTMQBHMLQZFJHI-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.03
Rot. Bonds7

About N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide

N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide (PubChem CID 54813756) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
PubChem CID54813756
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
SMILESCCN(CC)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H29N3O2/c1-3-22(4-2)14-18(23)20-17-12-10-15(11-13-17)19(24)21-16-8-6-5-7-9-16/h10-13,16H,3-9,14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUTMQBHMLQZFJHI-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16640624
4-acetamido-N-cyclooctylbenzamide
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N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-cyclohexyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 28587696
N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813570
N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 3026194

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide (CID 54813756) is N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide is CCN(CC)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
The InChIKey is UTMQBHMLQZFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-22(4-2)14-18(23)20-17-12-10-15(11-13-17)19(24)21-16-8-6-5-7-9-16/h10-13,16H,3-9,14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide has a molecular weight of 331.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54813756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).