2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide

C16H29N3O2 — CID 66833287

IUPAC2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide
SMILESC=CCCC(NC(C)=O)(C(=O)NC(C)(C)C)C1CCNC1
InChIInChI=1S/C16H29N3O2/c1-6-7-9-16(18-12(2)20,13-8-10-17-11-13)14(21)19-15(3,4)5/h6,13,17H,1,7-11H2,2-5H3,(H,18,20)(H,19,21)
InChIKeyGITYVFHBMPPYFZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.35
Rot. Bonds6

About 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide

2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide (PubChem CID 66833287) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide.

Molecular Properties

Compound Name2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide
PubChem CID66833287
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide
SMILESC=CCCC(NC(C)=O)(C(=O)NC(C)(C)C)C1CCNC1
InChIInChI=1S/C16H29N3O2/c1-6-7-9-16(18-12(2)20,13-8-10-17-11-13)14(21)19-15(3,4)5/h6,13,17H,1,7-11H2,2-5H3,(H,18,20)(H,19,21)
InChIKeyGITYVFHBMPPYFZ-UHFFFAOYSA-N
XLogP1.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide?
The IUPAC name of 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide (CID 66833287) is 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide.
What is the SMILES notation for 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide?
The canonical SMILES for 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide is C=CCCC(NC(C)=O)(C(=O)NC(C)(C)C)C1CCNC1.
What is the InChIKey of 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide?
The InChIKey is GITYVFHBMPPYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-7-9-16(18-12(2)20,13-8-10-17-11-13)14(21)19-15(3,4)5/h6,13,17H,1,7-11H2,2-5H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide?
2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide has a molecular weight of 295.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-tert-butyl-2-pyrrolidin-3-ylhex-5-enamide is sourced from PubChem (CID 66833287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).