3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide

C13H25NO2 — CID 21366343

IUPAC3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide
SMILESCCOC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2/c1-4-16-12(13(15)14-10(2)3)9-11-7-5-6-8-11/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyQNWHACVOBALEBE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds6

About 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide

3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide (PubChem CID 21366343) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide
PubChem CID21366343
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide
SMILESCCOC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2/c1-4-16-12(13(15)14-10(2)3)9-11-7-5-6-8-11/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyQNWHACVOBALEBE-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 4531146
CID 4531146
CID 4048999
CID 4048999
CID 223957
CID 223957
CID 2347226
CID 2347226
CID 4337956
CID 4337956
CID 17330468
CID 17330468
CID 71879629
CID 71879629
CID 134856681
CID 134856681
CID 6465808
CID 6465808
CID 17928492
CID 17928492
CID 20790258
CID 20790258
CID 20790259
CID 20790259

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide (CID 21366343) is 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide is CCOC(CC1CCCC1)C(=O)NC(C)C.
What is the InChIKey of 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide?
The InChIKey is QNWHACVOBALEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-16-12(13(15)14-10(2)3)9-11-7-5-6-8-11/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide?
3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-ethoxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 21366343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).