N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

C16H25N3O2 — CID 113058454

IUPACN-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCCc1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1
InChIInChI=1S/C16H25N3O2/c1-5-14-6-8-15(9-7-14)19(13(4)20)11-10-17-16(21)18-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,21)
InChIKeyJKAFKXOOVKSXHH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.31
Rot. Bonds6

About N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (PubChem CID 113058454) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
PubChem CID113058454
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCCc1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1
InChIInChI=1S/C16H25N3O2/c1-5-14-6-8-15(9-7-14)19(13(4)20)11-10-17-16(21)18-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,21)
InChIKeyJKAFKXOOVKSXHH-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291
methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
CID 113058449
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062524
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113064473
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 113058470
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (CID 113058454) is N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is CCc1ccc(N(CCNC(=O)NC(C)C)C(C)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is JKAFKXOOVKSXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-14-6-8-15(9-7-14)19(13(4)20)11-10-17-16(21)18-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,21).
What are the key properties of N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113058454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).