2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide

C20H29NO2 — CID 11023482

IUPAC2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide
SMILESCC(C)=CCON(C)C(=O)C(CC=C(C)C)Cc1ccccc1
InChIInChI=1S/C20H29NO2/c1-16(2)11-12-19(15-18-9-7-6-8-10-18)20(22)21(5)23-14-13-17(3)4/h6-11,13,19H,12,14-15H2,1-5H3
InChIKeyOROUFQMVAZJWOY-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.56
Rot. Bonds8

About 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide

2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide (PubChem CID 11023482) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide.

Molecular Properties

Compound Name2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide
PubChem CID11023482
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide
SMILESCC(C)=CCON(C)C(=O)C(CC=C(C)C)Cc1ccccc1
InChIInChI=1S/C20H29NO2/c1-16(2)11-12-19(15-18-9-7-6-8-10-18)20(22)21(5)23-14-13-17(3)4/h6-11,13,19H,12,14-15H2,1-5H3
InChIKeyOROUFQMVAZJWOY-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-benzyl-5-methylhex-4-enal
CID 11424225
methyl 2-benzyl-4-oxobutanoate
CID 10608348
2-benzyl-3-[[(E)-2-methylpent-2-enoyl]amino]propanoic acid
CID 132967793
3-benzylhexane-2,5-dione
CID 58379257
(3R)-3-benzyl-4-(dimethylamino)-4-oxobutanoic acid
CID 139971976
2-[bis(3-methylbut-2-enyl)amino]-3-phenylpropanoic acid
CID 67640387
2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
benzyl 2-(1-hydroxyethyl)-5-methylhex-4-enoate
CID 167995538
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
(2S)-2-(3-methylbut-2-enylsulfanyl)-3-phenylpropanoic acid
CID 93324649
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
alumane;3-benzylpentan-2-one
CID 174773852

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide?
The IUPAC name of 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide (CID 11023482) is 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide.
What is the SMILES notation for 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide?
The canonical SMILES for 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide is CC(C)=CCON(C)C(=O)C(CC=C(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide?
The InChIKey is OROUFQMVAZJWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-16(2)11-12-19(15-18-9-7-6-8-10-18)20(22)21(5)23-14-13-17(3)4/h6-11,13,19H,12,14-15H2,1-5H3.
What are the key properties of 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide?
2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide has a molecular weight of 315.46 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,5-dimethyl-N-(3-methylbut-2-enoxy)hex-4-enamide is sourced from PubChem (CID 11023482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).