N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide

C16H23NO — CID 135041080

IUPACN-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
SMILESCCC(=O)N(CC=C(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-5-16(18)17(12-11-13(2)3)14(4)15-9-7-6-8-10-15/h6-11,14H,5,12H2,1-4H3/t14-/m0/s1
InChIKeyUKVKGOCFNWMYIO-AWEZNQCLSA-N
MW245.37 g/mol
LogP3.95
Rot. Bonds5

About N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide

N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 135041080) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID135041080
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
SMILESCCC(=O)N(CC=C(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-5-16(18)17(12-11-13(2)3)14(4)15-9-7-6-8-10-15/h6-11,14H,5,12H2,1-4H3/t14-/m0/s1
InChIKeyUKVKGOCFNWMYIO-AWEZNQCLSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
[4-methyl-1-[3-methylbut-2-enyl(1-phenylethyl)amino]-1-oxopentan-2-yl]carbamic acid
CID 154451082
N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
CID 10977361
N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
1-phenylethyl(propyl)carbamic acid
CID 57360234
N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
CID 42696067
2-[(2-bromoacetyl)-[(1R)-1-phenylethyl]amino]acetic acid
CID 146503084
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105
N-[2-[acetyl(1-phenylethyl)amino]ethyl]propanamide
CID 113054420
ethyl (E)-4-[(3-methoxy-3-oxopropanoyl)-[(1R)-1-phenylethyl]amino]but-2-enoate
CID 100924082
N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
CID 76600128

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide (CID 135041080) is N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide is CCC(=O)N(CC=C(C)C)[C@@H](C)c1ccccc1.
What is the InChIKey of N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is UKVKGOCFNWMYIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-16(18)17(12-11-13(2)3)14(4)15-9-7-6-8-10-15/h6-11,14H,5,12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide?
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 245.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 135041080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).