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

C16H24N2O — CID 115605485

IUPACN-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
SMILESCC(NC/C=C/c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O/c1-13(15(19)18-16(2,3)4)17-12-8-11-14-9-6-5-7-10-14/h5-11,13,17H,12H2,1-4H3,(H,18,19)/b11-8+
InChIKeyVMJUBWIZQSPKHH-DHZHZOJOSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds5

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

N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide (PubChem CID 115605485) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
PubChem CID115605485
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
SMILESCC(NC/C=C/c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O/c1-13(15(19)18-16(2,3)4)17-12-8-11-14-9-6-5-7-10-14/h5-11,13,17H,12H2,1-4H3,(H,18,19)/b11-8+
InChIKeyVMJUBWIZQSPKHH-DHZHZOJOSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-methyl-2-(3-phenylprop-2-enylamino)propanamide
CID 76940370
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid
CID 70362824
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 112689881
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-tert-butyl-2-(naphthalen-1-ylmethylamino)propanamide
CID 62050441

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide (CID 115605485) is N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide is CC(NC/C=C/c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
The InChIKey is VMJUBWIZQSPKHH-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(15(19)18-16(2,3)4)17-12-8-11-14-9-6-5-7-10-14/h5-11,13,17H,12H2,1-4H3,(H,18,19)/b11-8+.
What are the key properties of N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide?
N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide is sourced from PubChem (CID 115605485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).