N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide

C16H23NO — CID 76600128

IUPACN-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
SMILESCCC(=O)N(CC(C)=Cc1ccccc1)C(C)C
InChIInChI=1S/C16H23NO/c1-5-16(18)17(13(2)3)12-14(4)11-15-9-7-6-8-10-15/h6-11,13H,5,12H2,1-4H3
InChIKeyVZCZJOYJSWNKMU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.74
Rot. Bonds5

About N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide

N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide (PubChem CID 76600128) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
PubChem CID76600128
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
SMILESCCC(=O)N(CC(C)=Cc1ccccc1)C(C)C
InChIInChI=1S/C16H23NO/c1-5-16(18)17(13(2)3)12-14(4)11-15-9-7-6-8-10-15/h6-11,13H,5,12H2,1-4H3
InChIKeyVZCZJOYJSWNKMU-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylurea
CID 42702397
(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide
CID 95125280
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 85152203
N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42702375
2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol
CID 127265155
(3S)-3-[methyl-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]sulfamoyl]amino]butanenitrile
CID 124852723
4-ethyl-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 73074312
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
CID 42697539
(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide (CID 76600128) is N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide is CCC(=O)N(CC(C)=Cc1ccccc1)C(C)C.
What is the InChIKey of N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide?
The InChIKey is VZCZJOYJSWNKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-16(18)17(13(2)3)12-14(4)11-15-9-7-6-8-10-15/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide?
N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide has a molecular weight of 245.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 76600128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).