2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

C13H24N2O2 — CID 99854012

IUPAC2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COC1CCCCC1)NC[C@@H]1CCNC1
InChIInChI=1S/C13H24N2O2/c16-13(15-9-11-6-7-14-8-11)10-17-12-4-2-1-3-5-12/h11-12,14H,1-10H2,(H,15,16)/t11-/m1/s1
InChIKeyWIRNNZGBRDYWLW-LLVKDONJSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds5

About 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (PubChem CID 99854012) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
PubChem CID99854012
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COC1CCCCC1)NC[C@@H]1CCNC1
InChIInChI=1S/C13H24N2O2/c16-13(15-9-11-6-7-14-8-11)10-17-12-4-2-1-3-5-12/h11-12,14H,1-10H2,(H,15,16)/t11-/m1/s1
InChIKeyWIRNNZGBRDYWLW-LLVKDONJSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yloxy)-N-(cyclopropylmethyl)acetamide
CID 63105334
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564380
N-(cyclohexylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
CID 143248684
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113265453
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (CID 99854012) is 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is O=C(COC1CCCCC1)NC[C@@H]1CCNC1.
What is the InChIKey of 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is WIRNNZGBRDYWLW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(15-9-11-6-7-14-8-11)10-17-12-4-2-1-3-5-12/h11-12,14H,1-10H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 99854012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).