4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide

C14H31N3O3 — CID 66432620

IUPAC4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
SMILESCOCCN(C(C)COC)C(CN)CC(=O)NC(C)C
InChIInChI=1S/C14H31N3O3/c1-11(2)16-14(18)8-13(9-15)17(6-7-19-4)12(3)10-20-5/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyQXNWDLGDVYVPTA-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.21
Rot. Bonds11

About 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide

4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide (PubChem CID 66432620) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
PubChem CID66432620
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Name4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
SMILESCOCCN(C(C)COC)C(CN)CC(=O)NC(C)C
InChIInChI=1S/C14H31N3O3/c1-11(2)16-14(18)8-13(9-15)17(6-7-19-4)12(3)10-20-5/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyQXNWDLGDVYVPTA-UHFFFAOYSA-N
XLogP0.21
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide (CID 66432620) is 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide is COCCN(C(C)COC)C(CN)CC(=O)NC(C)C.
What is the InChIKey of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide?
The InChIKey is QXNWDLGDVYVPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-11(2)16-14(18)8-13(9-15)17(6-7-19-4)12(3)10-20-5/h11-13H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide?
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 0.21, 11 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(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 66432620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).