3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide

C15H22N2O — CID 112688565

IUPAC3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC/C=C/c1ccccc1
InChIInChI=1S/C15H22N2O/c1-13(2)17-15(18)10-12-16-11-6-9-14-7-4-3-5-8-14/h3-9,13,16H,10-12H2,1-2H3,(H,17,18)/b9-6+
InChIKeyFIZNWXJTBSNIHM-RMKNXTFCSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds7

About 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide

3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide (PubChem CID 112688565) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide
PubChem CID112688565
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC/C=C/c1ccccc1
InChIInChI=1S/C15H22N2O/c1-13(2)17-15(18)10-12-16-11-6-9-14-7-4-3-5-8-14/h3-9,13,16H,10-12H2,1-2H3,(H,17,18)/b9-6+
InChIKeyFIZNWXJTBSNIHM-RMKNXTFCSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
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

N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 112689881
3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017
3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
3-methyl-2-[[(E)-5-phenylpent-4-enoyl]amino]butanoic acid
CID 119169932
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
N-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]methanesulfonamide
CID 62341302

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide (CID 112688565) is 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC/C=C/c1ccccc1.
What is the InChIKey of 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is FIZNWXJTBSNIHM-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(2)17-15(18)10-12-16-11-6-9-14-7-4-3-5-8-14/h3-9,13,16H,10-12H2,1-2H3,(H,17,18)/b9-6+.
What are the key properties of 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide?
3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-phenylprop-2-enyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 112688565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).