4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide

C14H31N3O3 — CID 66428252

IUPAC4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CCCOC)CCOC
InChIInChI=1S/C14H31N3O3/c1-4-6-16-14(18)11-13(12-15)17(8-10-20-3)7-5-9-19-2/h13H,4-12,15H2,1-3H3,(H,16,18)
InChIKeyXZOHGOQDSGJJBT-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.21
Rot. Bonds13

About 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide

4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide (PubChem CID 66428252) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
PubChem CID66428252
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Name4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CCCOC)CCOC
InChIInChI=1S/C14H31N3O3/c1-4-6-16-14(18)11-13(12-15)17(8-10-20-3)7-5-9-19-2/h13H,4-12,15H2,1-3H3,(H,16,18)
InChIKeyXZOHGOQDSGJJBT-UHFFFAOYSA-N
XLogP0.21
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
4-amino-3-[ethyl(2-methoxyethyl)amino]-N-methylbutanamide
CID 66427989
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
4-amino-3-[cyclopropyl(propyl)amino]-N-propylbutanamide
CID 66426544
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475
4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
CID 66268426
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
CID 63763709

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide (CID 66428252) is 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide is CCCNC(=O)CC(CN)N(CCCOC)CCOC.
What is the InChIKey of 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide?
The InChIKey is XZOHGOQDSGJJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-4-6-16-14(18)11-13(12-15)17(8-10-20-3)7-5-9-19-2/h13H,4-12,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide?
4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 0.21, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide is sourced from PubChem (CID 66428252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).