(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide

C13H17NO2 — CID 10998524

IUPAC(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide
SMILESC=C[C@H](O)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-12(15)9-13(16)14(2)10-11-7-5-4-6-8-11/h3-8,12,15H,1,9-10H2,2H3/t12-/m0/s1
InChIKeyDADDQYSOCCJWBS-LBPRGKRZSA-N
MW219.28 g/mol
LogP1.58
Rot. Bonds5

About (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide

(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide (PubChem CID 10998524) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide
PubChem CID10998524
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide
SMILESC=C[C@H](O)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-12(15)9-13(16)14(2)10-11-7-5-4-6-8-11/h3-8,12,15H,1,9-10H2,2H3/t12-/m0/s1
InChIKeyDADDQYSOCCJWBS-LBPRGKRZSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
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 (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide?
The IUPAC name of (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide (CID 10998524) is (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide.
What is the SMILES notation for (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide?
The canonical SMILES for (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide is C=C[C@H](O)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide?
The InChIKey is DADDQYSOCCJWBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-12(15)9-13(16)14(2)10-11-7-5-4-6-8-11/h3-8,12,15H,1,9-10H2,2H3/t12-/m0/s1.
What are the key properties of (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide?
(3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide has a molecular weight of 219.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-hydroxy-N-methylpent-4-enamide is sourced from PubChem (CID 10998524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).