(2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide

C17H30N2O2 — CID 163702477

IUPAC(2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide
SMILESC=CCC[C@H](C(N)=O)C(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C17H30N2O2/c1-4-5-10-14(16(18)20)15(17(21)19-12(2)3)11-13-8-6-7-9-13/h4,12-15H,1,5-11H2,2-3H3,(H2,18,20)(H,19,21)/t14-,15?/m0/s1
InChIKeyKCFRRFHHWGAZSN-MLCCFXAWSA-N
MW294.44 g/mol
LogP2.78
Rot. Bonds9

About (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide

(2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide (PubChem CID 163702477) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide.

Molecular Properties

Compound Name(2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide
PubChem CID163702477
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide
SMILESC=CCC[C@H](C(N)=O)C(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C17H30N2O2/c1-4-5-10-14(16(18)20)15(17(21)19-12(2)3)11-13-8-6-7-9-13/h4,12-15H,1,5-11H2,2-3H3,(H2,18,20)(H,19,21)/t14-,15?/m0/s1
InChIKeyKCFRRFHHWGAZSN-MLCCFXAWSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide?
The IUPAC name of (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide (CID 163702477) is (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide.
What is the SMILES notation for (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide?
The canonical SMILES for (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide is C=CCC[C@H](C(N)=O)C(CC1CCCC1)C(=O)NC(C)C.
What is the InChIKey of (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide?
The InChIKey is KCFRRFHHWGAZSN-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-5-10-14(16(18)20)15(17(21)19-12(2)3)11-13-8-6-7-9-13/h4,12-15H,1,5-11H2,2-3H3,(H2,18,20)(H,19,21)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide?
(2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide has a molecular weight of 294.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-enyl-3-(cyclopentylmethyl)-N'-propan-2-ylbutanediamide is sourced from PubChem (CID 163702477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).