4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide

C15H30N2O3 — CID 104761558

IUPAC4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NCC1(OC)CCOC1
InChIInChI=1S/C15H30N2O3/c1-3-4-13(7-9-16)5-6-14(18)17-11-15(19-2)8-10-20-12-15/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyLFUIXFDJVSZCSF-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.45
Rot. Bonds10

About 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide

4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide (PubChem CID 104761558) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
PubChem CID104761558
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NCC1(OC)CCOC1
InChIInChI=1S/C15H30N2O3/c1-3-4-13(7-9-16)5-6-14(18)17-11-15(19-2)8-10-20-12-15/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyLFUIXFDJVSZCSF-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104761417
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]hexanamide
CID 104761461
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
4-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 104766199
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101353
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
3-(tert-butylamino)-N-[(3-methoxyoxolan-3-yl)methyl]propanamide
CID 104761520
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide (CID 104761558) is 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide is CCCC(CCN)CCC(=O)NCC1(OC)CCOC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide?
The InChIKey is LFUIXFDJVSZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-3-4-13(7-9-16)5-6-14(18)17-11-15(19-2)8-10-20-12-15/h13H,3-12,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide?
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide has a molecular weight of 286.42 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide is sourced from PubChem (CID 104761558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).