(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide

C15H21NO — CID 135041041

IUPAC(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-11(2)10-12(3)15(17)16-13(4)14-8-6-5-7-9-14/h5-9,12-13H,1,10H2,2-4H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyACQTWDKVBILGNM-STQMWFEESA-N
MW231.34 g/mol
LogP3.47
Rot. Bonds5

About (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide

(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide (PubChem CID 135041041) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
PubChem CID135041041
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
SMILESC=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-11(2)10-12(3)15(17)16-13(4)14-8-6-5-7-9-14/h5-9,12-13H,1,10H2,2-4H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyACQTWDKVBILGNM-STQMWFEESA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-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

(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
4-(2,4-dimethylpent-4-enoylamino)-4-phenylbutanoic acid
CID 120686341
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
N-(2,4-dimethylpent-4-enoyl)benzamide
CID 15864898
(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 10967206
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
CID 10040229
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(4R,5R)-2,7-dimethyl-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 101057436

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide?
The IUPAC name of (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide (CID 135041041) is (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide.
What is the SMILES notation for (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide?
The canonical SMILES for (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide is C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide?
The InChIKey is ACQTWDKVBILGNM-STQMWFEESA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)10-12(3)15(17)16-13(4)14-8-6-5-7-9-14/h5-9,12-13H,1,10H2,2-4H3,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide?
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide is sourced from PubChem (CID 135041041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).