N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide

C17H27N3O3 — CID 87001428

IUPACN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)c1ccc(NC(=O)N(CC)CC)cc1
InChIInChI=1S/C17H27N3O3/c1-5-20(6-2)17(22)19-15-10-8-14(9-11-15)13(4)18-16(21)12-23-7-3/h8-11,13H,5-7,12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyWTOKSWATUCHDEW-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.77
Rot. Bonds8

About N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide

N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide (PubChem CID 87001428) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
PubChem CID87001428
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)c1ccc(NC(=O)N(CC)CC)cc1
InChIInChI=1S/C17H27N3O3/c1-5-20(6-2)17(22)19-15-10-8-14(9-11-15)13(4)18-16(21)12-23-7-3/h8-11,13H,5-7,12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyWTOKSWATUCHDEW-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
cis-(1S,3R)-3-[1-[4-(diethylcarbamoylamino)phenyl]ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066617
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
CID 87001432
N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 94002339
3-[4-[1-(2,2-dicyanoethenylamino)ethyl]phenyl]-1,1-diethylurea
CID 75416076
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-ethoxyacetamide
CID 95358538
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide (CID 87001428) is N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide is CCOCC(=O)NC(C)c1ccc(NC(=O)N(CC)CC)cc1.
What is the InChIKey of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide?
The InChIKey is WTOKSWATUCHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-20(6-2)17(22)19-15-10-8-14(9-11-15)13(4)18-16(21)12-23-7-3/h8-11,13H,5-7,12H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide?
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide has a molecular weight of 321.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 87001428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).