N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide

C16H24N2O — CID 112689881

IUPACN-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC/C=C/c1ccccc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)18-15(19)11-13-17-12-7-10-14-8-5-4-6-9-14/h4-10,17H,11-13H2,1-3H3,(H,18,19)/b10-7+
InChIKeyYPUAHJGZIXNHEY-JXMROGBWSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds6

About N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide

N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide (PubChem CID 112689881) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
PubChem CID112689881
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC/C=C/c1ccccc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)18-15(19)11-13-17-12-7-10-14-8-5-4-6-9-14/h4-10,17H,11-13H2,1-3H3,(H,18,19)/b10-7+
InChIKeyYPUAHJGZIXNHEY-JXMROGBWSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
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

Brn 2646116
CID 5281870
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
N,N'-Diphenethyl-malonamide
CID 2404841
3-Benzylaminopropionamide
CID 85451
N,N'-1,3-propanediylbis(3-phenylacrylamide)
CID 2172194
n-(2-Phenylethyl)butanamide
CID 221995
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502
N-phenylethylpivalamide
CID 546250

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide (CID 112689881) is N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide is CC(C)(C)NC(=O)CCNC/C=C/c1ccccc1.
What is the InChIKey of N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
The InChIKey is YPUAHJGZIXNHEY-JXMROGBWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)18-15(19)11-13-17-12-7-10-14-8-5-4-6-9-14/h4-10,17H,11-13H2,1-3H3,(H,18,19)/b10-7+.
What are the key properties of N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide is sourced from PubChem (CID 112689881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).