1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide

C13H22N2O3 — CID 122562882

IUPAC1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide
SMILESCOCC1(CNC(=O)C2(C(N)=O)CC2)CCCC1
InChIInChI=1S/C13H22N2O3/c1-18-9-12(4-2-3-5-12)8-15-11(17)13(6-7-13)10(14)16/h2-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyPTTNLXHCRXGTRI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.57
Rot. Bonds6

About 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide

1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 122562882) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide
PubChem CID122562882
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide
SMILESCOCC1(CNC(=O)C2(C(N)=O)CC2)CCCC1
InChIInChI=1S/C13H22N2O3/c1-18-9-12(4-2-3-5-12)8-15-11(17)13(6-7-13)10(14)16/h2-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyPTTNLXHCRXGTRI-UHFFFAOYSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 125443450
N-[[1-(methoxymethyl)cyclopentyl]methyl]spiro[2.3]hexane-2-carboxamide
CID 122566407
methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
CID 19883848
1-(cyclohexylmethyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131892063
cis-(1R,3S)-3-amino-N-[[1-(methoxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 154909398
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-(oxolan-3-yl)acetamide
CID 122569101
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
(2R)-N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 126454793
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 122562265
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096

Frequently Asked Questions

What is the IUPAC name of 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide (CID 122562882) is 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide is COCC1(CNC(=O)C2(C(N)=O)CC2)CCCC1.
What is the InChIKey of 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is PTTNLXHCRXGTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-9-12(4-2-3-5-12)8-15-11(17)13(6-7-13)10(14)16/h2-9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide?
1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[[1-(methoxymethyl)cyclopentyl]methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 122562882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).