(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide

C19H29NO2 — CID 134838858

IUPAC(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide
SMILESCC(C)N(C(=O)C/C=C/CCOCc1ccccc1)C(C)C
InChIInChI=1S/C19H29NO2/c1-16(2)20(17(3)4)19(21)13-9-6-10-14-22-15-18-11-7-5-8-12-18/h5-9,11-12,16-17H,10,13-15H2,1-4H3/b9-6+
InChIKeyVJRGWDRCYYZGOE-RMKNXTFCSA-N
MW303.45 g/mol
LogP4.18
Rot. Bonds9

About (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide

(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide (PubChem CID 134838858) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide.

Molecular Properties

Compound Name(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide
PubChem CID134838858
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide
SMILESCC(C)N(C(=O)C/C=C/CCOCc1ccccc1)C(C)C
InChIInChI=1S/C19H29NO2/c1-16(2)20(17(3)4)19(21)13-9-6-10-14-22-15-18-11-7-5-8-12-18/h5-9,11-12,16-17H,10,13-15H2,1-4H3/b9-6+
InChIKeyVJRGWDRCYYZGOE-RMKNXTFCSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
[(E)-5-phenylmethoxypent-2-enyl] 2-oxobutanoate
CID 23649615
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
2-[4-phenylmethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 119198503
(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
CID 163205191
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
ethyl 6-phenylmethoxy-2-propan-2-ylhex-2-enoate
CID 90826355
ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
(4R,5S)-4-methyl-5-phenyl-3-[(Z)-5-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 11079051

Frequently Asked Questions

What is the IUPAC name of (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide?
The IUPAC name of (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide (CID 134838858) is (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide.
What is the SMILES notation for (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide?
The canonical SMILES for (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide is CC(C)N(C(=O)C/C=C/CCOCc1ccccc1)C(C)C.
What is the InChIKey of (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide?
The InChIKey is VJRGWDRCYYZGOE-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H29NO2/c1-16(2)20(17(3)4)19(21)13-9-6-10-14-22-15-18-11-7-5-8-12-18/h5-9,11-12,16-17H,10,13-15H2,1-4H3/b9-6+.
What are the key properties of (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide?
(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide has a molecular weight of 303.45 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide is sourced from PubChem (CID 134838858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).