N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide

C17H24N2O2 — CID 50821480

IUPACN-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCCCC(=O)Nc1ccc(C2(C(=O)NCC)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-5-6-15(20)19-14-9-7-13(8-10-14)17(11-12-17)16(21)18-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIIYOGPPMCQJGKW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.98
Rot. Bonds7

About N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide

N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 50821480) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID50821480
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCCCC(=O)Nc1ccc(C2(C(=O)NCC)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-3-5-6-15(20)19-14-9-7-13(8-10-14)17(11-12-17)16(21)18-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIIYOGPPMCQJGKW-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557929
N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821689
N-ethyl-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110621
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
1-[4-(4-ethoxybutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912886
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 50827153
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide (CID 50821480) is N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide is CCCCC(=O)Nc1ccc(C2(C(=O)NCC)CC2)cc1.
What is the InChIKey of N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IIYOGPPMCQJGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-6-15(20)19-14-9-7-13(8-10-14)17(11-12-17)16(21)18-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide?
N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(pentanoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50821480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).