3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide

C9H18N2O3 — CID 106100669

IUPAC3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCC1(O)CCOC1
InChIInChI=1S/C9H18N2O3/c1-10-8(12)2-4-11-6-9(13)3-5-14-7-9/h11,13H,2-7H2,1H3,(H,10,12)
InChIKeyIEZIGNSQLQOYRN-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.14
Rot. Bonds5

About 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide

3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide (PubChem CID 106100669) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide
PubChem CID106100669
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCC1(O)CCOC1
InChIInChI=1S/C9H18N2O3/c1-10-8(12)2-4-11-6-9(13)3-5-14-7-9/h11,13H,2-7H2,1H3,(H,10,12)
InChIKeyIEZIGNSQLQOYRN-UHFFFAOYSA-N
XLogP-1.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.14
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

2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 126972964
3-(Propylaminomethyl)oxolan-3-ol
CID 63333473
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 75389359
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 75389364
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
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpentanamide
CID 103525861
3-(dimethylamino)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712270
3-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712377
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 103718349

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide (CID 106100669) is 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide is CNC(=O)CCNCC1(O)CCOC1.
What is the InChIKey of 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide?
The InChIKey is IEZIGNSQLQOYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-8(12)2-4-11-6-9(13)3-5-14-7-9/h11,13H,2-7H2,1H3,(H,10,12).
What are the key properties of 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide?
3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide has a molecular weight of 202.25 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 106100669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).