4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

C12H23NO4 — CID 107302079

IUPAC4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCCOCCCC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C12H23NO4/c1-3-16-7-4-5-11(14)13-9-12(15)6-8-17-10(12)2/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyMWVLVHJBNLFMQX-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.46
Rot. Bonds7

About 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (PubChem CID 107302079) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
PubChem CID107302079
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCCOCCCC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C12H23NO4/c1-3-16-7-4-5-11(14)13-9-12(15)6-8-17-10(12)2/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyMWVLVHJBNLFMQX-UHFFFAOYSA-N
XLogP0.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
CID 107302209
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592
3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
CID 106101613
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide
CID 106101560
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106099130
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide
CID 114758885
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The IUPAC name of 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (CID 107302079) is 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is CCOCCCC(=O)NCC1(O)CCOC1C.
What is the InChIKey of 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The InChIKey is MWVLVHJBNLFMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-16-7-4-5-11(14)13-9-12(15)6-8-17-10(12)2/h10,15H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide has a molecular weight of 245.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 107302079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).