ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide

C25H52N2O2 — CID 145076925

IUPACethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide
SMILESC=C1CC(C)C(=O)N1CC1CCC(CC(=O)NCC)CC1.CC.CC.CC.CC
InChIInChI=1S/C17H28N2O2.4C2H6/c1-4-18-16(20)10-14-5-7-15(8-6-14)11-19-13(3)9-12(2)17(19)21;4*1-2/h12,14-15H,3-11H2,1-2H3,(H,18,20);4*1-2H3
InChIKeyWOLJOMBAUGXKHP-UHFFFAOYSA-N
MW412.70 g/mol
LogP6.81
Rot. Bonds5

About ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide

ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide (PubChem CID 145076925) has the molecular formula C25H52N2O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Nameethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide
PubChem CID145076925
Molecular FormulaC25H52N2O2
Molecular Weight412.70 g/mol
Exact Mass412.40
IUPAC Nameethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide
SMILESC=C1CC(C)C(=O)N1CC1CCC(CC(=O)NCC)CC1.CC.CC.CC.CC
InChIInChI=1S/C17H28N2O2.4C2H6/c1-4-18-16(20)10-14-5-7-15(8-6-14)11-19-13(3)9-12(2)17(19)21;4*1-2/h12,14-15H,3-11H2,1-2H3,(H,18,20);4*1-2H3
InChIKeyWOLJOMBAUGXKHP-UHFFFAOYSA-N
XLogP6.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(methylamino)propylamino]propyl]-4-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclohex-3-en-1-yl]butanamide
CID 59058706
2-(4,7-Dimethyl-6-methylideneoct-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
CID 67135792
2-(4-Methyl-6-methylidenenon-1-en-2-yl)-2-azaspiro[4.5]decan-3-one
CID 67135885
1-(2,6-Dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
CID 89378419
5-(dimethylamino)-4-methyl-2-[2-(piperidine-1-carbonyl)butyl]-N-propan-2-ylhex-5-enamide
CID 132100520
N-[2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)acetamide
CID 139444819
4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 139475314
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
CID 142070801
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-(2-methylbutan-2-yl)formamide
CID 142070812
1-(2,2-Dimethyl-6-methylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
CID 143398670
Ethane;5-(4-ethylcyclohexyl)-4-methylidenepyrrolidin-2-one
CID 143588267
pent-1-en-2-amine;(4S)-4-propylpyrrolidin-2-one
CID 145305672

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
The IUPAC name of ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide (CID 145076925) is ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide.
What is the SMILES notation for ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
The canonical SMILES for ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide is C=C1CC(C)C(=O)N1CC1CCC(CC(=O)NCC)CC1.CC.CC.CC.CC.
What is the InChIKey of ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
The InChIKey is WOLJOMBAUGXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.4C2H6/c1-4-18-16(20)10-14-5-7-15(8-6-14)11-19-13(3)9-12(2)17(19)21;4*1-2/h12,14-15H,3-11H2,1-2H3,(H,18,20);4*1-2H3.
What are the key properties of ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide?
ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide has a molecular weight of 412.70 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 145076925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).