N-but-3-enyl-3-methyl-2-phenylpentanamide

C16H23NO — CID 113466088

IUPACN-but-3-enyl-3-methyl-2-phenylpentanamide
SMILESC=CCCNC(=O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C16H23NO/c1-4-6-12-17-16(18)15(13(3)5-2)14-10-8-7-9-11-14/h4,7-11,13,15H,1,5-6,12H2,2-3H3,(H,17,18)
InChIKeyWOJKODZOVJCJKQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.51
Rot. Bonds7

About N-but-3-enyl-3-methyl-2-phenylpentanamide

N-but-3-enyl-3-methyl-2-phenylpentanamide (PubChem CID 113466088) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-but-3-enyl-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-but-3-enyl-3-methyl-2-phenylpentanamide
PubChem CID113466088
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-but-3-enyl-3-methyl-2-phenylpentanamide
SMILESC=CCCNC(=O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C16H23NO/c1-4-6-12-17-16(18)15(13(3)5-2)14-10-8-7-9-11-14/h4,7-11,13,15H,1,5-6,12H2,2-3H3,(H,17,18)
InChIKeyWOJKODZOVJCJKQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
CID 114310573
(2S,3R)-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]-3-methyl-2-phenylpentanamide
CID 97025367
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide
CID 115456296
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide
CID 95339120

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-3-methyl-2-phenylpentanamide?
The IUPAC name of N-but-3-enyl-3-methyl-2-phenylpentanamide (CID 113466088) is N-but-3-enyl-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-but-3-enyl-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-but-3-enyl-3-methyl-2-phenylpentanamide is C=CCCNC(=O)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-but-3-enyl-3-methyl-2-phenylpentanamide?
The InChIKey is WOJKODZOVJCJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-6-12-17-16(18)15(13(3)5-2)14-10-8-7-9-11-14/h4,7-11,13,15H,1,5-6,12H2,2-3H3,(H,17,18).
What are the key properties of N-but-3-enyl-3-methyl-2-phenylpentanamide?
N-but-3-enyl-3-methyl-2-phenylpentanamide has a molecular weight of 245.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 113466088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).