N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide

C12H23NO3 — CID 111425977

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-8-7-12(15)13-9-11(14)10-5-3-4-6-10/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyMWXMEVWBAPUYCX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds7

About N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide (PubChem CID 111425977) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
PubChem CID111425977
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-8-7-12(15)13-9-11(14)10-5-3-4-6-10/h10-11,14H,2-9H2,1H3,(H,13,15)
InChIKeyMWXMEVWBAPUYCX-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide
CID 109478571
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
CID 111425656
N-(2,2-dimethoxyethyl)-3-ethoxypropanamide
CID 62966631
N-(2-cyclopropyl-2-hydroxyethyl)-3-(methylamino)propanamide
CID 63297635
N-(2-cyclopropyl-2-hydroxyethyl)nonanamide
CID 63294974
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
CID 64927440
3-ethoxy-N-ethylpropanamide
CID 58030283
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)propanamide
CID 63297161
N-(2-cyclopropyl-2-hydroxyethyl)-4-(propan-2-ylamino)butanamide
CID 63297357

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide (CID 111425977) is N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide is CCOCCC(=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide?
The InChIKey is MWXMEVWBAPUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-8-7-12(15)13-9-11(14)10-5-3-4-6-10/h10-11,14H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide is sourced from PubChem (CID 111425977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).