N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide

C9H20N2O2 — CID 104872961

IUPACN-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)N[C@H](C)CN
InChIInChI=1S/C9H20N2O2/c1-3-13-6-4-5-9(12)11-8(2)7-10/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyDCNQQAOZXZJSNW-MRVPVSSYSA-N
MW188.27 g/mol
LogP0.27
Rot. Bonds7

About N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide

N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide (PubChem CID 104872961) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
PubChem CID104872961
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)N[C@H](C)CN
InChIInChI=1S/C9H20N2O2/c1-3-13-6-4-5-9(12)11-8(2)7-10/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyDCNQQAOZXZJSNW-MRVPVSSYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.27
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

4-ethoxy-N-(4-hydroxybutan-2-yl)butanamide
CID 81048367
N-[(2S)-1-aminopropan-2-yl]-4-prop-2-enoxybutanamide;hydrochloride
CID 120506402
methyl 2-(4-ethoxybutanoylamino)-3-methylbutanoate
CID 78975295
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
N-(1-cyanoethyl)-4-ethoxybutanamide
CID 78989500
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
(2S,3R)-2-(4-ethoxybutanoylamino)-3-hydroxybutanoic acid
CID 104964904
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
CID 107564387
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide
CID 81087723

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide (CID 104872961) is N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide is CCOCCCC(=O)N[C@H](C)CN.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide?
The InChIKey is DCNQQAOZXZJSNW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-13-6-4-5-9(12)11-8(2)7-10/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide?
N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide has a molecular weight of 188.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide is sourced from PubChem (CID 104872961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).