N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide

C11H17NO2 — CID 155749588

IUPACN-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
SMILESCCOC1=CC(CNC(C)=O)CC=C1
InChIInChI=1S/C11H17NO2/c1-3-14-11-6-4-5-10(7-11)8-12-9(2)13/h4,6-7,10H,3,5,8H2,1-2H3,(H,12,13)
InChIKeyBJQZTBJGSHHDQP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.62
Rot. Bonds4

About N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide

N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide (PubChem CID 155749588) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
PubChem CID155749588
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
SMILESCCOC1=CC(CNC(C)=O)CC=C1
InChIInChI=1S/C11H17NO2/c1-3-14-11-6-4-5-10(7-11)8-12-9(2)13/h4,6-7,10H,3,5,8H2,1-2H3,(H,12,13)
InChIKeyBJQZTBJGSHHDQP-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoroethoxy)-N-(2-oxoethyl)cyclohexa-2,4-diene-1-carboxamide
CID 143981406
N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 14811298
N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide
CID 54133660
N-[2-(5-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]acetamide
CID 66875775
N-[2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027848
(3Z,5E)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 70874881
N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide
CID 70904221
2,8-Dioxa-12-azabicyclo[12.4.0]octadeca-3,5,15,17-tetraen-13-one
CID 77935922
N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide
CID 87797894
N-[(7-methoxy-3H-isochromen-4-yl)methyl]acetamide
CID 88112016
N-(4-methoxycyclohexa-2,4-dien-1-yl)acetamide
CID 89073504
N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide
CID 89313756

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
The IUPAC name of N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide (CID 155749588) is N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide is CCOC1=CC(CNC(C)=O)CC=C1.
What is the InChIKey of N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
The InChIKey is BJQZTBJGSHHDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-14-11-6-4-5-10(7-11)8-12-9(2)13/h4,6-7,10H,3,5,8H2,1-2H3,(H,12,13).
What are the key properties of N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide?
N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxycyclohexa-2,4-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 155749588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).