ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide

C22H46N2O2 — CID 143679863

IUPACethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide
SMILESCC.CC.CC1CCCC1C(=O)N(C)C.CCNC(=O)C1CCCC1C
InChIInChI=1S/2C9H17NO.2C2H6/c1-7-5-4-6-8(7)9(11)10(2)3;1-3-10-9(11)8-6-4-5-7(8)2;2*1-2/h7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);2*1-2H3
InChIKeyBICSZDSJTFQNBR-UHFFFAOYSA-N
MW370.62 g/mol
LogP5.12
Rot. Bonds3

About ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide

ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide (PubChem CID 143679863) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide
PubChem CID143679863
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC Nameethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide
SMILESCC.CC.CC1CCCC1C(=O)N(C)C.CCNC(=O)C1CCCC1C
InChIInChI=1S/2C9H17NO.2C2H6/c1-7-5-4-6-8(7)9(11)10(2)3;1-3-10-9(11)8-6-4-5-7(8)2;2*1-2/h7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);2*1-2H3
InChIKeyBICSZDSJTFQNBR-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide?
The IUPAC name of ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide (CID 143679863) is ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide is CC.CC.CC1CCCC1C(=O)N(C)C.CCNC(=O)C1CCCC1C.
What is the InChIKey of ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide?
The InChIKey is BICSZDSJTFQNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17NO.2C2H6/c1-7-5-4-6-8(7)9(11)10(2)3;1-3-10-9(11)8-6-4-5-7(8)2;2*1-2/h7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide?
ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide has a molecular weight of 370.62 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methylcyclopentane-1-carboxamide;N,N,2-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 143679863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).