N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide

C16H19NO — CID 11817337

IUPACN-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide
SMILESC#CCN(C(=O)CCC=C)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H19NO/c1-4-6-12-16(18)17(13-5-2)14(3)15-10-8-7-9-11-15/h2,4,7-11,14H,1,6,12-13H2,3H3/t14-/m0/s1
InChIKeyFPMMNWUBBAXXCP-AWEZNQCLSA-N
MW241.33 g/mol
LogP3.18
Rot. Bonds6

About N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide

N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide (PubChem CID 11817337) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide
PubChem CID11817337
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide
SMILESC#CCN(C(=O)CCC=C)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H19NO/c1-4-6-12-16(18)17(13-5-2)14(3)15-10-8-7-9-11-15/h2,4,7-11,14H,1,6,12-13H2,3H3/t14-/m0/s1
InChIKeyFPMMNWUBBAXXCP-AWEZNQCLSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
(E)-N-ethyl-5-phenyl-N-(1-phenylethyl)pent-4-enamide
CID 66486378
benzyl N-pent-4-enoyl-N-[phenylmethoxycarbonyl(prop-2-ynyl)amino]carbamate
CID 101360039
N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
CID 104898271
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
CID 10977361
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
methyl N-(2-ethenoxyethyl)-N-(1-phenylethyl)carbamate
CID 154113841
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
(2S)-2-phenylhex-5-enoic acid
CID 92982258

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide (CID 11817337) is N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide is C#CCN(C(=O)CCC=C)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide?
The InChIKey is FPMMNWUBBAXXCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-6-12-16(18)17(13-5-2)14(3)15-10-8-7-9-11-15/h2,4,7-11,14H,1,6,12-13H2,3H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide?
N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide has a molecular weight of 241.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-N-prop-2-ynylpent-4-enamide is sourced from PubChem (CID 11817337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).