N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide

C11H17NO — CID 143130109

IUPACN-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCCN(C(C)=O)C1=CC=C(C)CC1
InChIInChI=1S/C11H17NO/c1-4-12(10(3)13)11-7-5-9(2)6-8-11/h5,7H,4,6,8H2,1-3H3
InChIKeyUEERZBGWWHHTQN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.48
Rot. Bonds2

About N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide

N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 143130109) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID143130109
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCCN(C(C)=O)C1=CC=C(C)CC1
InChIInChI=1S/C11H17NO/c1-4-12(10(3)13)11-7-5-9(2)6-8-11/h5,7H,4,6,8H2,1-3H3
InChIKeyUEERZBGWWHHTQN-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
CID 123474269
N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 123162035
N-ethyl-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 131859942
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-N-phenylaniline
CID 70917236
N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide
CID 139605410
2-bromo-1-(4-methylcyclohexa-1,3-dien-1-yl)ethanone
CID 123526771
ethane;(4-methylcyclohexa-1,3-dien-1-yl) acetate
CID 145345549
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N-(2-ethylselanylphenyl)acetamide
CID 102432026
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
CID 174953014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide (CID 143130109) is N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide is CCN(C(C)=O)C1=CC=C(C)CC1.
What is the InChIKey of N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is UEERZBGWWHHTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-12(10(3)13)11-7-5-9(2)6-8-11/h5,7H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 179.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 143130109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).