(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide

C12H22N2O3 — CID 111825842

IUPAC(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(11(16)13-2)14-10(15)8-12(17)6-4-3-5-7-12/h9,17H,3-8H2,1-2H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyBQLCERYXIIKDEM-SECBINFHSA-N
MW242.32 g/mol
LogP0.32
Rot. Bonds4

About (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide

(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide (PubChem CID 111825842) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide
PubChem CID111825842
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(11(16)13-2)14-10(15)8-12(17)6-4-3-5-7-12/h9,17H,3-8H2,1-2H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyBQLCERYXIIKDEM-SECBINFHSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide (CID 111825842) is (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)NC(=O)CC1(O)CCCCC1.
What is the InChIKey of (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide?
The InChIKey is BQLCERYXIIKDEM-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(11(16)13-2)14-10(15)8-12(17)6-4-3-5-7-12/h9,17H,3-8H2,1-2H3,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide?
(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 111825842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).