methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate

C19H26N2O4 — CID 108745294

IUPACmethyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H26N2O4/c1-13(22)21-16-9-7-14(8-10-16)11-18(23)20-12-15-5-3-4-6-17(15)19(24)25-2/h7-10,15,17H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWKSMRBQDKCKKQO-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108745294) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID108745294
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H26N2O4/c1-13(22)21-16-9-7-14(8-10-16)11-18(23)20-12-15-5-3-4-6-17(15)19(24)25-2/h7-10,15,17H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWKSMRBQDKCKKQO-UHFFFAOYSA-N
XLogP2.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767543
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
CID 108783643
N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111471182
trans-(1S,2R)-2-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755751
2-(4-acetamidophenyl)-N-cyclopentyloxyacetamide
CID 83202703
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
methyl 2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767526
methyl 2-[[(5-oxo-5-phenylpentanoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745297
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378
methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108767495
methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745195
methyl 2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate (CID 108745294) is methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is WKSMRBQDKCKKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(22)21-16-9-7-14(8-10-16)11-18(23)20-12-15-5-3-4-6-17(15)19(24)25-2/h7-10,15,17H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).