N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane

C17H31NO3 — CID 176553120

IUPACN-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane
SMILESCC.CCC(=O)N(CC1CCC(C(C)=O)CC1)C(=O)CC
InChIInChI=1S/C15H25NO3.C2H6/c1-4-14(18)16(15(19)5-2)10-12-6-8-13(9-7-12)11(3)17;1-2/h12-13H,4-10H2,1-3H3;1-2H3
InChIKeyBYPFCXVDTHNIBX-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.58
Rot. Bonds5

About N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane

N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane (PubChem CID 176553120) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane.

Molecular Properties

Compound NameN-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane
PubChem CID176553120
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane
SMILESCC.CCC(=O)N(CC1CCC(C(C)=O)CC1)C(=O)CC
InChIInChI=1S/C15H25NO3.C2H6/c1-4-14(18)16(15(19)5-2)10-12-6-8-13(9-7-12)11(3)17;1-2/h12-13H,4-10H2,1-3H3;1-2H3
InChIKeyBYPFCXVDTHNIBX-UHFFFAOYSA-N
XLogP3.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
CID 143959726
ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
CID 144882385
ethane;methane;1-[4-(2-methylidenebutyl)cyclohexyl]ethanone
CID 144975347
1-(4-pentylcyclohexyl)ethanone
CID 13278013
4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
N-[(4-acetylcyclohexyl)methyl]-2-ethyl-N-methyl-4-oxobutanamide
CID 154687930
1-cyclopentylethanone;propane
CID 145026358
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
1-(4-acetylcyclohexyl)-2-bromoethanone
CID 170239235
1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone
CID 130192513
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 104750812

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane?
The IUPAC name of N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane (CID 176553120) is N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane.
What is the SMILES notation for N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane?
The canonical SMILES for N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane is CC.CCC(=O)N(CC1CCC(C(C)=O)CC1)C(=O)CC.
What is the InChIKey of N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane?
The InChIKey is BYPFCXVDTHNIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3.C2H6/c1-4-14(18)16(15(19)5-2)10-12-6-8-13(9-7-12)11(3)17;1-2/h12-13H,4-10H2,1-3H3;1-2H3.
What are the key properties of N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane?
N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane has a molecular weight of 297.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylcyclohexyl)methyl]-N-propanoylpropanamide;ethane is sourced from PubChem (CID 176553120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).