N-methyl-2-(3-phenylprop-2-enylamino)propanamide

C13H18N2O — CID 76940370

IUPACN-methyl-2-(3-phenylprop-2-enylamino)propanamide
SMILESCNC(=O)C(C)NCC=Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(13(16)14-2)15-10-6-9-12-7-4-3-5-8-12/h3-9,11,15H,10H2,1-2H3,(H,14,16)
InChIKeyFZICAMAXMKDPEC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds5

About N-methyl-2-(3-phenylprop-2-enylamino)propanamide

N-methyl-2-(3-phenylprop-2-enylamino)propanamide (PubChem CID 76940370) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-methyl-2-(3-phenylprop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylprop-2-enylamino)propanamide
PubChem CID76940370
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-methyl-2-(3-phenylprop-2-enylamino)propanamide
SMILESCNC(=O)C(C)NCC=Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-11(13(16)14-2)15-10-6-9-12-7-4-3-5-8-12/h3-9,11,15H,10H2,1-2H3,(H,14,16)
InChIKeyFZICAMAXMKDPEC-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 115605485
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
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
(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
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
4-(3-phenylprop-2-enylamino)butanoic acid
CID 57368017

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylprop-2-enylamino)propanamide?
The IUPAC name of N-methyl-2-(3-phenylprop-2-enylamino)propanamide (CID 76940370) is N-methyl-2-(3-phenylprop-2-enylamino)propanamide.
What is the SMILES notation for N-methyl-2-(3-phenylprop-2-enylamino)propanamide?
The canonical SMILES for N-methyl-2-(3-phenylprop-2-enylamino)propanamide is CNC(=O)C(C)NCC=Cc1ccccc1.
What is the InChIKey of N-methyl-2-(3-phenylprop-2-enylamino)propanamide?
The InChIKey is FZICAMAXMKDPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(13(16)14-2)15-10-6-9-12-7-4-3-5-8-12/h3-9,11,15H,10H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-2-(3-phenylprop-2-enylamino)propanamide?
N-methyl-2-(3-phenylprop-2-enylamino)propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylprop-2-enylamino)propanamide is sourced from PubChem (CID 76940370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).