(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide

C12H16N2O — CID 63733129

IUPAC(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
SMILESCC(N)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(13)9-14-12(15)8-7-11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3,(H,14,15)/b8-7+
InChIKeyAKPVRMPYUQCRCS-BQYQJAHWSA-N
MW204.27 g/mol
LogP1.16
Rot. Bonds4

About (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide

(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide (PubChem CID 63733129) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
PubChem CID63733129
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
SMILESCC(N)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(13)9-14-12(15)8-7-11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3,(H,14,15)/b8-7+
InChIKeyAKPVRMPYUQCRCS-BQYQJAHWSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
tris((E)-N-[(2R)-2-hydroxybutyl]-3-phenylprop-2-enamide);hydrate
CID 139062706
(E)-N-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutyl]-3-phenylprop-2-enamide
CID 66657873
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
CID 92526146
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2-amino-4-methyl-N-[(2S)-3-methyl-1-[[(E)-3-phenylprop-2-enoyl]amino]butan-2-yl]pentanamide
CID 66657922
2-imino-4-methyl-5-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 174690155
N-(1-amino-3-methylbutyl)-3-phenylprop-2-enamide;hydrochloride
CID 69039299
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide (CID 63733129) is (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide is CC(N)CNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide?
The InChIKey is AKPVRMPYUQCRCS-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(13)9-14-12(15)8-7-11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3,(H,14,15)/b8-7+.
What are the key properties of (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide?
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide has a molecular weight of 204.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminopropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 63733129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).