(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide

C16H24N2O — CID 95125280

IUPAC(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide
SMILESCNC(=O)C[C@@H](C)N(C)C/C(C)=C/c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(10-15-8-6-5-7-9-15)12-18(4)14(2)11-16(19)17-3/h5-10,14H,11-12H2,1-4H3,(H,17,19)/b13-10+/t14-/m1/s1
InChIKeyZBBJEDDVTJGHJV-JWAFFJSPSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds6

About (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide

(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide (PubChem CID 95125280) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide
PubChem CID95125280
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide
SMILESCNC(=O)C[C@@H](C)N(C)C/C(C)=C/c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(10-15-8-6-5-7-9-15)12-18(4)14(2)11-16(19)17-3/h5-10,14H,11-12H2,1-4H3,(H,17,19)/b13-10+/t14-/m1/s1
InChIKeyZBBJEDDVTJGHJV-JWAFFJSPSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
CID 76600128
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 85152203
(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
3-methyl-4-phenylbut-3-enamide
CID 23660
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
CID 95147060
N-methyl-3,3-diphenylpropanamide
CID 3373592
(3S)-3-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]-methylamino]-N-methylbutanamide
CID 124749263
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide?
The IUPAC name of (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide (CID 95125280) is (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide.
What is the SMILES notation for (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide?
The canonical SMILES for (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide is CNC(=O)C[C@@H](C)N(C)C/C(C)=C/c1ccccc1.
What is the InChIKey of (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide?
The InChIKey is ZBBJEDDVTJGHJV-JWAFFJSPSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(10-15-8-6-5-7-9-15)12-18(4)14(2)11-16(19)17-3/h5-10,14H,11-12H2,1-4H3,(H,17,19)/b13-10+/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide?
(3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-[methyl-[(E)-2-methyl-3-phenylprop-2-enyl]amino]butanamide is sourced from PubChem (CID 95125280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).