(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide

C16H21NO2 — CID 40579720

IUPAC(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)[C@H](CC)Oc1ccccc1
InChIInChI=1S/C16H21NO2/c1-4-12-17(13-5-2)16(18)15(6-3)19-14-10-8-7-9-11-14/h4-5,7-11,15H,1-2,6,12-13H2,3H3/t15-/m0/s1
InChIKeyUXHZEPNTKPDSAN-HNNXBMFYSA-N
MW259.35 g/mol
LogP3.04
Rot. Bonds8

About (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide

(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide (PubChem CID 40579720) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
PubChem CID40579720
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)[C@H](CC)Oc1ccccc1
InChIInChI=1S/C16H21NO2/c1-4-12-17(13-5-2)16(18)15(6-3)19-14-10-8-7-9-11-14/h4-5,7-11,15H,1-2,6,12-13H2,3H3/t15-/m0/s1
InChIKeyUXHZEPNTKPDSAN-HNNXBMFYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-2-phenoxybutanamide
CID 3492483
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
N-ethyl-2-phenoxy-N-phenylbutanamide
CID 4132728
2-[(2-amino-2-oxoethyl)-(2-phenoxybutanoyl)amino]acetic acid
CID 107433913
N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
CID 62332724
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
N-(2-methylprop-2-enyl)-2-phenoxybutanamide
CID 114618279
(2R)-N,N-diethyl-2-(3-methoxyphenoxy)butanamide
CID 99950238
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
CID 8965470
(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
CID 94016182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide (CID 40579720) is (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)[C@H](CC)Oc1ccccc1.
What is the InChIKey of (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is UXHZEPNTKPDSAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-12-17(13-5-2)16(18)15(6-3)19-14-10-8-7-9-11-14/h4-5,7-11,15H,1-2,6,12-13H2,3H3/t15-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide?
(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 259.35 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 40579720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).