N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide

C19H29N3O3 — CID 113060789

IUPACN-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1N(CCNC(=O)NC1CCCCC1)C(C)=O
InChIInChI=1S/C19H29N3O3/c1-3-25-18-12-8-7-11-17(18)22(15(2)23)14-13-20-19(24)21-16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H2,20,21,24)
InChIKeyVPHSXPXBISDXCL-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide

N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 113060789) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID113060789
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1N(CCNC(=O)NC1CCCCC1)C(C)=O
InChIInChI=1S/C19H29N3O3/c1-3-25-18-12-8-7-11-17(18)22(15(2)23)14-13-20-19(24)21-16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H2,20,21,24)
InChIKeyVPHSXPXBISDXCL-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693
N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113061686
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
CID 113060744
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
CID 113060757
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113054788

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide (CID 113060789) is N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1N(CCNC(=O)NC1CCCCC1)C(C)=O.
What is the InChIKey of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is VPHSXPXBISDXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-18-12-8-7-11-17(18)22(15(2)23)14-13-20-19(24)21-16-9-5-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3,(H2,20,21,24).
What are the key properties of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide?
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 113060789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).