N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide

C11H17NO — CID 163550783

IUPACN-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC=C(C)CC1C
InChIInChI=1S/C11H17NO/c1-8-4-5-11(9(2)6-8)7-12-10(3)13/h4-5,9H,6-7H2,1-3H3,(H,12,13)
InChIKeyFIWHWOCJEIFOJR-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.04
Rot. Bonds2

About N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide

N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide (PubChem CID 163550783) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide
PubChem CID163550783
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide
SMILESCC(=O)NCC1=CC=C(C)CC1C
InChIInChI=1S/C11H17NO/c1-8-4-5-11(9(2)6-8)7-12-10(3)13/h4-5,9H,6-7H2,1-3H3,(H,12,13)
InChIKeyFIWHWOCJEIFOJR-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
CID 143087943
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-(thiiren-2-ylmethyl)acetamide
CID 130350306
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
N-(2,3-dihydro-1H-triazol-4-ylmethyl)acetamide
CID 144946497
N-benzylacetamide;toluene
CID 175498463
N-[(3-bromo-4-methylcyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 163375666
N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide
CID 154657038
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide?
The IUPAC name of N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide (CID 163550783) is N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide?
The canonical SMILES for N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide is CC(=O)NCC1=CC=C(C)CC1C.
What is the InChIKey of N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide?
The InChIKey is FIWHWOCJEIFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-11(9(2)6-8)7-12-10(3)13/h4-5,9H,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide?
N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide has a molecular weight of 179.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylcyclohexa-1,3-dien-1-yl)methyl]acetamide is sourced from PubChem (CID 163550783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).