(5S)-N,5-dimethyl-6-phenylhex-3-enamide

C14H19NO — CID 57033478

IUPAC(5S)-N,5-dimethyl-6-phenylhex-3-enamide
SMILESCNC(=O)CC=C[C@@H](C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-12(7-6-10-14(16)15-2)11-13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyHGIQMCPWNMUCCK-GFCCVEGCSA-N
MW217.31 g/mol
LogP2.56
Rot. Bonds5

About (5S)-N,5-dimethyl-6-phenylhex-3-enamide

(5S)-N,5-dimethyl-6-phenylhex-3-enamide (PubChem CID 57033478) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (5S)-N,5-dimethyl-6-phenylhex-3-enamide.

Molecular Properties

Compound Name(5S)-N,5-dimethyl-6-phenylhex-3-enamide
PubChem CID57033478
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(5S)-N,5-dimethyl-6-phenylhex-3-enamide
SMILESCNC(=O)CC=C[C@@H](C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-12(7-6-10-14(16)15-2)11-13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyHGIQMCPWNMUCCK-GFCCVEGCSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(1-phenylpropan-2-ylamino)propanamide
CID 63010546
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2,4-dimethyl-5-phenylpent-2-enoic acid
CID 76793021
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
benzyl N-[(E,2R,5R)-5-methyl-1,6-diphenylhex-3-en-2-yl]carbamate
CID 58416912
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(Z)-2-benzylpent-3-enoic acid
CID 67132273
[(E)-(2-methyl-3-phenylpropylidene)amino]urea
CID 121221650
2-benzyl-5-(2-methylpropyl)hex-3-enedioic acid
CID 77464052
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512

Frequently Asked Questions

What is the IUPAC name of (5S)-N,5-dimethyl-6-phenylhex-3-enamide?
The IUPAC name of (5S)-N,5-dimethyl-6-phenylhex-3-enamide (CID 57033478) is (5S)-N,5-dimethyl-6-phenylhex-3-enamide.
What is the SMILES notation for (5S)-N,5-dimethyl-6-phenylhex-3-enamide?
The canonical SMILES for (5S)-N,5-dimethyl-6-phenylhex-3-enamide is CNC(=O)CC=C[C@@H](C)Cc1ccccc1.
What is the InChIKey of (5S)-N,5-dimethyl-6-phenylhex-3-enamide?
The InChIKey is HGIQMCPWNMUCCK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(7-6-10-14(16)15-2)11-13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (5S)-N,5-dimethyl-6-phenylhex-3-enamide?
(5S)-N,5-dimethyl-6-phenylhex-3-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,5-dimethyl-6-phenylhex-3-enamide is sourced from PubChem (CID 57033478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).