1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide

C12H24N2O3 — CID 113467723

IUPAC1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCN(CCO)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O3/c1-10-7-12(8-10,9-13)11(16)14(3-5-15)4-6-17-2/h10,15H,3-9,13H2,1-2H3
InChIKeyPSECLWBFIARHPL-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.17
Rot. Bonds7

About 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 113467723) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
PubChem CID113467723
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
SMILESCOCCN(CCO)C(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O3/c1-10-7-12(8-10,9-13)11(16)14(3-5-15)4-6-17-2/h10,15H,3-9,13H2,1-2H3
InChIKeyPSECLWBFIARHPL-UHFFFAOYSA-N
XLogP-0.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80588345
1-cyano-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 113467755
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 113312882
1-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 115435074
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide
CID 113468096
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpiperidine-2-carboxamide
CID 113467728
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119729842
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)cycloheptane-1-carboxamide
CID 104861721
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
1-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80587568

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide (CID 113467723) is 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide is COCCN(CCO)C(=O)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is PSECLWBFIARHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10-7-12(8-10,9-13)11(16)14(3-5-15)4-6-17-2/h10,15H,3-9,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 113467723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).