N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

C12H21NO3 — CID 115185404

IUPACN-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1(CO)COC1
InChIInChI=1S/C12H21NO3/c1-13(6-10-4-2-3-5-10)11(15)12(7-14)8-16-9-12/h10,14H,2-9H2,1H3
InChIKeyPHBIJVCDZQBCGH-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.64
Rot. Bonds4

About N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (PubChem CID 115185404) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
PubChem CID115185404
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1(CO)COC1
InChIInChI=1S/C12H21NO3/c1-13(6-10-4-2-3-5-10)11(15)12(7-14)8-16-9-12/h10,14H,2-9H2,1H3
InChIKeyPHBIJVCDZQBCGH-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
CID 115185474
methyl 3-[cyclopentylmethyl(methyl)carbamoyl]oxetane-3-carboxylate
CID 115185155
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
N-(cyclohexylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128373
N-methyl-1-(methylaminomethyl)-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 115183756
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
CID 55126193
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-(cyclobutylmethyl)-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63142224
N-(cyclohexylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
CID 76921659
N-(cyclopropylmethyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 159127981

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (CID 115185404) is N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is CN(CC1CCCC1)C(=O)C1(CO)COC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The InChIKey is PHBIJVCDZQBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(6-10-4-2-3-5-10)11(15)12(7-14)8-16-9-12/h10,14H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115185404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).