N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide

C14H25N3O2 — CID 119602522

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESNCC1CCCC1NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H25N3O2/c15-9-11-5-4-6-12(11)16-13(18)10-17-8-3-1-2-7-14(17)19/h11-12H,1-10,15H2,(H,16,18)
InChIKeyGSOXIFUUPPTEPO-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.63
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide

N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 119602522) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID119602522
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESNCC1CCCC1NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H25N3O2/c15-9-11-5-4-6-12(11)16-13(18)10-17-8-3-1-2-7-14(17)19/h11-12H,1-10,15H2,(H,16,18)
InChIKeyGSOXIFUUPPTEPO-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
2-(2-oxopiperidin-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78864876
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 96529679
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119617570
N-[(2-hydroxycyclopentyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111471342
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 119573783
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide (CID 119602522) is N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide is NCC1CCCC1NC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is GSOXIFUUPPTEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-9-11-5-4-6-12(11)16-13(18)10-17-8-3-1-2-7-14(17)19/h11-12H,1-10,15H2,(H,16,18).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 119602522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).