3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide

C13H18N2O — CID 115875443

IUPAC3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
SMILESC/C(=C/c1ccccc1)CNCCC(N)=O
InChIInChI=1S/C13H18N2O/c1-11(10-15-8-7-13(14)16)9-12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H2,14,16)/b11-9-
InChIKeyQVZHOKLQNZCCMQ-LUAWRHEFSA-N
MW218.30 g/mol
LogP1.55
Rot. Bonds6

About 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide

3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide (PubChem CID 115875443) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide.

Molecular Properties

Compound Name3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
PubChem CID115875443
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
SMILESC/C(=C/c1ccccc1)CNCCC(N)=O
InChIInChI=1S/C13H18N2O/c1-11(10-15-8-7-13(14)16)9-12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H2,14,16)/b11-9-
InChIKeyQVZHOKLQNZCCMQ-LUAWRHEFSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
3-methyl-4-phenylbut-3-enamide
CID 23660
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
(E)-2-methyl-N-(3-methylsulfanylpropyl)-3-phenylprop-2-en-1-amine
CID 115639100
3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
CID 106437480
N-[3-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]propyl]ethanesulfonamide
CID 119108394
1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
CID 127265895
(E)-2-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)prop-2-en-1-amine
CID 119107756
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide?
The IUPAC name of 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide (CID 115875443) is 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide.
What is the SMILES notation for 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide?
The canonical SMILES for 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide is C/C(=C/c1ccccc1)CNCCC(N)=O.
What is the InChIKey of 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide?
The InChIKey is QVZHOKLQNZCCMQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(10-15-8-7-13(14)16)9-12-5-3-2-4-6-12/h2-6,9,15H,7-8,10H2,1H3,(H2,14,16)/b11-9-.
What are the key properties of 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide?
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide is sourced from PubChem (CID 115875443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).