3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide

C10H20N2O2 — CID 177193420

IUPAC3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide
SMILESCCCNC(=O)C1(CNCC)COC1
InChIInChI=1S/C10H20N2O2/c1-3-5-12-9(13)10(6-11-4-2)7-14-8-10/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyQKQUUEVHSZIPIV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds6

About 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide

3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide (PubChem CID 177193420) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide
PubChem CID177193420
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide
SMILESCCCNC(=O)C1(CNCC)COC1
InChIInChI=1S/C10H20N2O2/c1-3-5-12-9(13)10(6-11-4-2)7-14-8-10/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyQKQUUEVHSZIPIV-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248420
(2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87995069
N-(2-cyclobutylethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185450
ethane;N-ethyl-3-hydroxyoxetane-3-carboxamide
CID 170610220
2,6-bis[(3-ethyloxetane-3-carbonyl)amino]hexanoic acid
CID 102265606
N-ethyl-4-(propylamino)oxane-4-carboxamide
CID 147346977
butane;ethane;N-[[3-(ethylaminomethyl)oxetan-3-yl]methyl]formamide
CID 177320311
1-(2,2-dimethylpropyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 142377280
N-butyl-1-ethylcyclopropane-1-carboxamide;ethane
CID 171795822
3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide
CID 115185753
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide?
The IUPAC name of 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide (CID 177193420) is 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide is CCCNC(=O)C1(CNCC)COC1.
What is the InChIKey of 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide?
The InChIKey is QKQUUEVHSZIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-5-12-9(13)10(6-11-4-2)7-14-8-10/h11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide?
3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide is sourced from PubChem (CID 177193420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).