propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate

C19H28N2O3 — CID 54817758

IUPACpropyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-13-24-19(23)15-9-11-16(12-10-15)20-18(22)14-21(2)17-7-5-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyQGOGERBNNRWTOH-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.46
Rot. Bonds7

About propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate

propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate (PubChem CID 54817758) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
PubChem CID54817758
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namepropyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-3-13-24-19(23)15-9-11-16(12-10-15)20-18(22)14-21(2)17-7-5-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,20,22)
InChIKeyQGOGERBNNRWTOH-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
N-tert-butyl-4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzamide
CID 54817284
2-[cyclohexyl(methyl)amino]-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54817207
cis-(1S,2R)-2-[(4-propoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013499
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
propyl 4-(piperidine-1-carbonylamino)benzoate
CID 79156721
propyl 4-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzoate
CID 2608891
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate (CID 54817758) is propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)CN(C)C2CCCCC2)cc1.
What is the InChIKey of propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
The InChIKey is QGOGERBNNRWTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-13-24-19(23)15-9-11-16(12-10-15)20-18(22)14-21(2)17-7-5-4-6-8-17/h9-12,17H,3-8,13-14H2,1-2H3,(H,20,22).
What are the key properties of propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate?
propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate has a molecular weight of 332.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 54817758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).