1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate

C13H23NO3 — CID 174642719

IUPAC1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
SMILESCC(=O)NCC1CCC(C(C)OC(C)=O)CC1
InChIInChI=1S/C13H23NO3/c1-9(17-11(3)16)13-6-4-12(5-7-13)8-14-10(2)15/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyMKGQYKNBOVBQDM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds4

About 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate

1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate (PubChem CID 174642719) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate.

Molecular Properties

Compound Name1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
PubChem CID174642719
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
SMILESCC(=O)NCC1CCC(C(C)OC(C)=O)CC1
InChIInChI=1S/C13H23NO3/c1-9(17-11(3)16)13-6-4-12(5-7-13)8-14-10(2)15/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyMKGQYKNBOVBQDM-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450
N-(thian-4-ylmethyl)acetamide
CID 91415666
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
[4-(acetamidomethyl)cyclohexyl] nitrate
CID 15133129
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
CID 90251686
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629
3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 102736543
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233

Frequently Asked Questions

What is the IUPAC name of 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate?
The IUPAC name of 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate (CID 174642719) is 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate.
What is the SMILES notation for 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate?
The canonical SMILES for 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate is CC(=O)NCC1CCC(C(C)OC(C)=O)CC1.
What is the InChIKey of 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate?
The InChIKey is MKGQYKNBOVBQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(17-11(3)16)13-6-4-12(5-7-13)8-14-10(2)15/h9,12-13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate?
1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate has a molecular weight of 241.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate is sourced from PubChem (CID 174642719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).