(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide

C15H26N2O2 — CID 89068582

IUPAC(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](C(N)=O)C(CC1CCCC1)C(=O)NCC
InChIInChI=1S/C15H26N2O2/c1-3-7-12(14(16)18)13(15(19)17-4-2)10-11-8-5-6-9-11/h3,11-13H,1,4-10H2,2H3,(H2,16,18)(H,17,19)/t12-,13?/m0/s1
InChIKeyNDBOHKLJVADNTB-UEWDXFNNSA-N
MW266.38 g/mol
LogP2.00
Rot. Bonds8

About (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide

(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide (PubChem CID 89068582) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide.

Molecular Properties

Compound Name(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
PubChem CID89068582
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](C(N)=O)C(CC1CCCC1)C(=O)NCC
InChIInChI=1S/C15H26N2O2/c1-3-7-12(14(16)18)13(15(19)17-4-2)10-11-8-5-6-9-11/h3,11-13H,1,4-10H2,2H3,(H2,16,18)(H,17,19)/t12-,13?/m0/s1
InChIKeyNDBOHKLJVADNTB-UEWDXFNNSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.00
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)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
The IUPAC name of (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide (CID 89068582) is (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide.
What is the SMILES notation for (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
The canonical SMILES for (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide is C=CC[C@H](C(N)=O)C(CC1CCCC1)C(=O)NCC.
What is the InChIKey of (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
The InChIKey is NDBOHKLJVADNTB-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-7-12(14(16)18)13(15(19)17-4-2)10-11-8-5-6-9-11/h3,11-13H,1,4-10H2,2H3,(H2,16,18)(H,17,19)/t12-,13?/m0/s1.
What are the key properties of (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide?
(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide has a molecular weight of 266.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide is sourced from PubChem (CID 89068582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).