N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide

C19H27N3O3 — CID 113061686

IUPACN-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)c1ccc(N(CCNC(=O)NC2CCCCC2)C(C)=O)cc1
InChIInChI=1S/C19H27N3O3/c1-14(23)16-8-10-18(11-9-16)22(15(2)24)13-12-20-19(25)21-17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H2,20,21,25)
InChIKeyHQSBXIXDCXWGTP-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.87
Rot. Bonds6

About N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide

N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide (PubChem CID 113061686) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
PubChem CID113061686
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)c1ccc(N(CCNC(=O)NC2CCCCC2)C(C)=O)cc1
InChIInChI=1S/C19H27N3O3/c1-14(23)16-8-10-18(11-9-16)22(15(2)24)13-12-20-19(25)21-17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H2,20,21,25)
InChIKeyHQSBXIXDCXWGTP-UHFFFAOYSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.87
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-(4-fluorophenyl)acetamide
CID 113059350
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
CID 113060789
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
CID 113060593
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide (CID 113061686) is N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide is CC(=O)c1ccc(N(CCNC(=O)NC2CCCCC2)C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The InChIKey is HQSBXIXDCXWGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)16-8-10-18(11-9-16)22(15(2)24)13-12-20-19(25)21-17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H2,20,21,25).
What are the key properties of N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113061686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).