N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide

C16H23NO — CID 122692160

IUPACN-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
SMILESCCC(C)C(=O)N(CC)C/C=C\c1ccccc1
InChIInChI=1S/C16H23NO/c1-4-14(3)16(18)17(5-2)13-9-12-15-10-7-6-8-11-15/h6-12,14H,4-5,13H2,1-3H3/b12-9-
InChIKeyMXJWOXAFZZCJJN-XFXZXTDPSA-N
MW245.37 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide

N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide (PubChem CID 122692160) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
PubChem CID122692160
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
SMILESCCC(C)C(=O)N(CC)C/C=C\c1ccccc1
InChIInChI=1S/C16H23NO/c1-4-14(3)16(18)17(5-2)13-9-12-15-10-7-6-8-11-15/h6-12,14H,4-5,13H2,1-3H3/b12-9-
InChIKeyMXJWOXAFZZCJJN-XFXZXTDPSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-ethyl-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50984163
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134990
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
N-(3,3-diphenylpropyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 42696449
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
N-ethyl-N-[(E)-3-phenylprop-2-enyl]oxolane-3-carboxamide
CID 50962275
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide?
The IUPAC name of N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide (CID 122692160) is N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide?
The canonical SMILES for N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide is CCC(C)C(=O)N(CC)C/C=C\c1ccccc1.
What is the InChIKey of N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide?
The InChIKey is MXJWOXAFZZCJJN-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-14(3)16(18)17(5-2)13-9-12-15-10-7-6-8-11-15/h6-12,14H,4-5,13H2,1-3H3/b12-9-.
What are the key properties of N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide?
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide has a molecular weight of 245.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide is sourced from PubChem (CID 122692160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).