4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide

C21H34N2O3 — CID 70316026

IUPAC4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H](C)[C@H]1CCC[C@H]1CC
InChIInChI=1S/C21H34N2O3/c1-4-12-22-21(26)19(24)18(13-15-8-6-9-15)23-20(25)14(3)17-11-7-10-16(17)5-2/h4,14-18H,1,5-13H2,2-3H3,(H,22,26)(H,23,25)/t14-,16+,17+,18?/m0/s1
InChIKeyRCQPRVBXENOXQS-PKWDIUTOSA-N
MW362.51 g/mol
LogP3.00
Rot. Bonds10

About 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide

4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide (PubChem CID 70316026) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide
PubChem CID70316026
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H](C)[C@H]1CCC[C@H]1CC
InChIInChI=1S/C21H34N2O3/c1-4-12-22-21(26)19(24)18(13-15-8-6-9-15)23-20(25)14(3)17-11-7-10-16(17)5-2/h4,14-18H,1,5-13H2,2-3H3,(H,22,26)(H,23,25)/t14-,16+,17+,18?/m0/s1
InChIKeyRCQPRVBXENOXQS-PKWDIUTOSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide?
The IUPAC name of 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide (CID 70316026) is 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide?
The canonical SMILES for 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide is C=CCNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H](C)[C@H]1CCC[C@H]1CC.
What is the InChIKey of 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide?
The InChIKey is RCQPRVBXENOXQS-PKWDIUTOSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-4-12-22-21(26)19(24)18(13-15-8-6-9-15)23-20(25)14(3)17-11-7-10-16(17)5-2/h4,14-18H,1,5-13H2,2-3H3,(H,22,26)(H,23,25)/t14-,16+,17+,18?/m0/s1.
What are the key properties of 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide?
4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide has a molecular weight of 362.51 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-3-[[(2S)-2-[(1S,2R)-2-ethylcyclopentyl]propanoyl]amino]-2-oxo-N-prop-2-enylbutanamide is sourced from PubChem (CID 70316026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).