(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride

C14H21ClN2O — CID 174418018

IUPAC(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC=Cc1ccccc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11(2)10-13(15)14(17)16-9-8-12-6-4-3-5-7-12;/h3-9,11,13H,10,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyVFGXCGYQSGNCLX-ZOWNYOTGSA-N
MW268.79 g/mol
LogP2.57
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride (PubChem CID 174418018) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride
PubChem CID174418018
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NC=Cc1ccccc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-11(2)10-13(15)14(17)16-9-8-12-6-4-3-5-7-12;/h3-9,11,13H,10,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1
InChIKeyVFGXCGYQSGNCLX-ZOWNYOTGSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-methyl-N-[(2S)-3-methyl-1-[[(E)-3-phenylprop-2-enoyl]amino]butan-2-yl]pentanamide
CID 66657922
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
N-(1-amino-3-methylbutyl)-3-phenylprop-2-enamide;hydrochloride
CID 69039299
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(E)-3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]prop-2-enoic acid
CID 104903835
N-(2-phenylethenyl)acetamide
CID 54032077
(E)-3-[3-[(2-amino-4-methylpentanoyl)amino]phenyl]prop-2-enoic acid
CID 115339756
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
2-phenylethenylcarbamic acid
CID 151881054
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
(2S)-2-amino-4-methyl-N-[(R)-phenylsulfinyl]pentanamide;(2S)-2-amino-4-methyl-N-[(S)-phenylsulfinyl]pentanamide
CID 158890382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride (CID 174418018) is (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NC=Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride?
The InChIKey is VFGXCGYQSGNCLX-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-11(2)10-13(15)14(17)16-9-8-12-6-4-3-5-7-12;/h3-9,11,13H,10,15H2,1-2H3,(H,16,17);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride is sourced from PubChem (CID 174418018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).