2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide

C15H30N2O — CID 54961790

IUPAC2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCCC1CCCCC1NCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H30N2O/c1-5-13-8-6-7-9-14(13)16-10-15(18)17-12(4)11(2)3/h11-14,16H,5-10H2,1-4H3,(H,17,18)
InChIKeyYIISEFGBSFCUMV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.71
Rot. Bonds6

About 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 54961790) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID54961790
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCCC1CCCCC1NCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H30N2O/c1-5-13-8-6-7-9-14(13)16-10-15(18)17-12(4)11(2)3/h11-14,16H,5-10H2,1-4H3,(H,17,18)
InChIKeyYIISEFGBSFCUMV-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 54961790) is 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide is CCC1CCCCC1NCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is YIISEFGBSFCUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-13-8-6-7-9-14(13)16-10-15(18)17-12(4)11(2)3/h11-14,16H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 254.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 54961790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).