cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H20N2O4 — CID 730262

IUPACcis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H20N2O4/c1-10(19)17-11-6-8-12(9-7-11)18-15(20)13-4-2-3-5-14(13)16(21)22/h6-9,13-14H,2-5H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14+/m1/s1
InChIKeyHICVGWDOEAENSY-KGLIPLIRSA-N
MW304.35 g/mol
LogP2.47
Rot. Bonds4

About cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 730262) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID730262
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namecis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H20N2O4/c1-10(19)17-11-6-8-12(9-7-11)18-15(20)13-4-2-3-5-14(13)16(21)22/h6-9,13-14H,2-5H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14+/m1/s1
InChIKeyHICVGWDOEAENSY-KGLIPLIRSA-N
XLogP2.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 730262) is cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is HICVGWDOEAENSY-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(19)17-11-6-8-12(9-7-11)18-15(20)13-4-2-3-5-14(13)16(21)22/h6-9,13-14H,2-5H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 730262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).