2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide

C12H16N2O — CID 69252913

IUPAC2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
SMILESC/C(=C\c1ccccc1)CNCC(N)=O
InChIInChI=1S/C12H16N2O/c1-10(8-14-9-12(13)15)7-11-5-3-2-4-6-11/h2-7,14H,8-9H2,1H3,(H2,13,15)/b10-7+
InChIKeyPMOOKQPVTDVIJZ-JXMROGBWSA-N
MW204.27 g/mol
LogP1.16
Rot. Bonds5

About 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide

2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide (PubChem CID 69252913) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
PubChem CID69252913
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
SMILESC/C(=C\c1ccccc1)CNCC(N)=O
InChIInChI=1S/C12H16N2O/c1-10(8-14-9-12(13)15)7-11-5-3-2-4-6-11/h2-7,14H,8-9H2,1H3,(H2,13,15)/b10-7+
InChIKeyPMOOKQPVTDVIJZ-JXMROGBWSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
3-methyl-4-phenylbut-3-enamide
CID 23660
1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
CID 127265895
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
(E)-2-methyl-N-(2-methylsulfanylethyl)-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605448
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
(E)-2-methyl-N-(3-methylsulfanylpropyl)-3-phenylprop-2-en-1-amine
CID 115639100
1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol
CID 119123695
N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide
CID 119108394

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide?
The IUPAC name of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide (CID 69252913) is 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide.
What is the SMILES notation for 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide?
The canonical SMILES for 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide is C/C(=C\c1ccccc1)CNCC(N)=O.
What is the InChIKey of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide?
The InChIKey is PMOOKQPVTDVIJZ-JXMROGBWSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(8-14-9-12(13)15)7-11-5-3-2-4-6-11/h2-7,14H,8-9H2,1H3,(H2,13,15)/b10-7+.
What are the key properties of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide?
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide is sourced from PubChem (CID 69252913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).