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N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide

C18H28N2O — CID 119566852

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)11-15-5-7-16(8-6-15)12-17(21)20-18(13-19)9-3-4-10-18/h5-8,14H,3-4,9-13,19H2,1-2H3,(H,20,21)
InChIKeyHFEALFVRLFWHMN-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide

N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide (PubChem CID 119566852) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
PubChem CID119566852
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)11-15-5-7-16(8-6-15)12-17(21)20-18(13-19)9-3-4-10-18/h5-8,14H,3-4,9-13,19H2,1-2H3,(H,20,21)
InChIKeyHFEALFVRLFWHMN-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide (CID 119566852) is N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide is CC(C)Cc1ccc(CC(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
The InChIKey is HFEALFVRLFWHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)11-15-5-7-16(8-6-15)12-17(21)20-18(13-19)9-3-4-10-18/h5-8,14H,3-4,9-13,19H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide is sourced from PubChem (CID 119566852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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