3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide

C12H24N2O2 — CID 106114395

IUPAC3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCCCC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-16-11(9-13)12(15)14-8-4-7-10-5-2-3-6-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQRPAGKSIRZNSQX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds7

About 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide

3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide (PubChem CID 106114395) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
PubChem CID106114395
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCCCC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-16-11(9-13)12(15)14-8-4-7-10-5-2-3-6-10/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyQRPAGKSIRZNSQX-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
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

3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
CID 106135074
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
CID 113322317
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
3-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxypropanamide
CID 106113069
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide (CID 106114395) is 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide is COC(CN)C(=O)NCCCC1CCCC1.
What is the InChIKey of 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide?
The InChIKey is QRPAGKSIRZNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-16-11(9-13)12(15)14-8-4-7-10-5-2-3-6-10/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide?
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide is sourced from PubChem (CID 106114395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).