N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide

C10H20N2O3 — CID 106100668

IUPACN-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
SMILESCCNC(=O)CCNCC1(O)CCOC1
InChIInChI=1S/C10H20N2O3/c1-2-12-9(13)3-5-11-7-10(14)4-6-15-8-10/h11,14H,2-8H2,1H3,(H,12,13)
InChIKeyNBXDBGKZJAKJDS-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.75
Rot. Bonds6

About N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide

N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide (PubChem CID 106100668) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
PubChem CID106100668
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
SMILESCCNC(=O)CCNCC1(O)CCOC1
InChIInChI=1S/C10H20N2O3/c1-2-12-9(13)3-5-11-7-10(14)4-6-15-8-10/h11,14H,2-8H2,1H3,(H,12,13)
InChIKeyNBXDBGKZJAKJDS-UHFFFAOYSA-N
XLogP-0.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103849084
2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 126972964
N-butan-2-yl-3-[(4-hydroxyoxolan-3-yl)amino]propanamide
CID 61021336
3-[(4-hydroxyoxolan-3-yl)amino]-N-propylpropanamide
CID 61885153
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 75389364
1-(Azepan-1-yl)-3-[(3-hydroxyoxolan-3-yl)methylamino]butan-1-one
CID 75515464
2-ethyl-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243046
2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
CID 97243047
N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243062
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methylpentanamide
CID 97243063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide (CID 106100668) is N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide is CCNC(=O)CCNCC1(O)CCOC1.
What is the InChIKey of N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
The InChIKey is NBXDBGKZJAKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-12-9(13)3-5-11-7-10(14)4-6-15-8-10/h11,14H,2-8H2,1H3,(H,12,13).
What are the key properties of N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide has a molecular weight of 216.28 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide is sourced from PubChem (CID 106100668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).