2,2-dicyclohexyl-N-ethylacetamide

C16H29NO — CID 71067645

IUPAC2,2-dicyclohexyl-N-ethylacetamide
SMILESCCNC(=O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-2-17-16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyFXSZTBPRHHBXGV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.90
Rot. Bonds4

About 2,2-dicyclohexyl-N-ethylacetamide

2,2-dicyclohexyl-N-ethylacetamide (PubChem CID 71067645) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2,2-dicyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-N-ethylacetamide
PubChem CID71067645
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2,2-dicyclohexyl-N-ethylacetamide
SMILESCCNC(=O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-2-17-16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-15H,2-12H2,1H3,(H,17,18)
InChIKeyFXSZTBPRHHBXGV-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide
CID 112745014
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
2,2-dicyclopropyl-N-[3-(cyclopropylamino)propyl]acetamide
CID 112745062
2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
CID 43236392
3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
CID 81392911
1-cyclohexyl-1-(ethylamino)propan-2-one
CID 123716073
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
2,3-dicyclohexylbutanedioic acid;N-ethylethanamine
CID 174659539
3-cyclobutyl-2-(cyclopentylmethoxy)-N-ethylpropanamide
CID 70911148
4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
CID 120513465

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-N-ethylacetamide?
The IUPAC name of 2,2-dicyclohexyl-N-ethylacetamide (CID 71067645) is 2,2-dicyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2,2-dicyclohexyl-N-ethylacetamide?
The canonical SMILES for 2,2-dicyclohexyl-N-ethylacetamide is CCNC(=O)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyl-N-ethylacetamide?
The InChIKey is FXSZTBPRHHBXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-17-16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-15H,2-12H2,1H3,(H,17,18).
What are the key properties of 2,2-dicyclohexyl-N-ethylacetamide?
2,2-dicyclohexyl-N-ethylacetamide has a molecular weight of 251.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-N-ethylacetamide is sourced from PubChem (CID 71067645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).