(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide

C16H23NO — CID 115612706

IUPAC(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCCC(CC)CNC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C16H23NO/c1-4-14(5-2)12-17-16(18)11-10-15-9-7-6-8-13(15)3/h6-11,14H,4-5,12H2,1-3H3,(H,17,18)/b11-10+
InChIKeyBHSRLSSOYMEDJP-ZHACJKMWSA-N
MW245.37 g/mol
LogP3.56
Rot. Bonds6

About (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide

(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 115612706) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID115612706
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCCC(CC)CNC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C16H23NO/c1-4-14(5-2)12-17-16(18)11-10-15-9-7-6-8-13(15)3/h6-11,14H,4-5,12H2,1-3H3,(H,17,18)/b11-10+
InChIKeyBHSRLSSOYMEDJP-ZHACJKMWSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid
CID 81064774
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
4-methyl-5-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 82009524
2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43387414
(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 115612726
(E)-N-(2-ethylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 113232022
(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
CID 103712889
diethyl-[[2-[[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 9073835
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(2-methylphenyl)prop-2-enamide
CID 103280647
(E)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(2-methylphenyl)prop-2-enamide
CID 8948290
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide (CID 115612706) is (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide is CCC(CC)CNC(=O)/C=C/c1ccccc1C.
What is the InChIKey of (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is BHSRLSSOYMEDJP-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-14(5-2)12-17-16(18)11-10-15-9-7-6-8-13(15)3/h6-11,14H,4-5,12H2,1-3H3,(H,17,18)/b11-10+.
What are the key properties of (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide?
(E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 115612706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).