N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide

C18H27NO — CID 112791720

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H27NO/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-18(20)17-6-4-5-7-17/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyAIANIWHDSQDUEY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.25
Rot. Bonds5

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide (PubChem CID 112791720) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
PubChem CID112791720
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H27NO/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-18(20)17-6-4-5-7-17/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyAIANIWHDSQDUEY-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43007222
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111298621
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
CID 58417527
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950718
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N'-(cyclohexanecarbonyl)-4-(2-methylpropyl)benzohydrazide
CID 8639719
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide (CID 112791720) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide is CC(C)Cc1ccc(C(C)NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide?
The InChIKey is AIANIWHDSQDUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-18(20)17-6-4-5-7-17/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,19,20).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide has a molecular weight of 273.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 112791720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).