4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide

C13H29N3O2 — CID 66429475

IUPAC4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
SMILESCCC(CC)N(CCOC)C(CN)CC(=O)NC
InChIInChI=1S/C13H29N3O2/c1-5-11(6-2)16(7-8-18-4)12(10-14)9-13(17)15-3/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyQXZVBQINOPPHOQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.59
Rot. Bonds10

About 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide

4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide (PubChem CID 66429475) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
PubChem CID66429475
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
SMILESCCC(CC)N(CCOC)C(CN)CC(=O)NC
InChIInChI=1S/C13H29N3O2/c1-5-11(6-2)16(7-8-18-4)12(10-14)9-13(17)15-3/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyQXZVBQINOPPHOQ-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[ethyl(2-methoxyethyl)amino]-N-methylbutanamide
CID 66427989
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
CID 66431664
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide
CID 82948851
4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
CID 66426282
4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
CID 64694411
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
4-amino-N-methyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66429259
4-amino-3-[2-methoxyethyl(3-methoxypropyl)amino]-N-propylbutanamide
CID 66428252
tert-butyl N-(2-methoxyethyl)-N-[1-methoxy-4-(methylamino)-4-oxobutan-2-yl]carbamate
CID 169107909
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide?
The IUPAC name of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide (CID 66429475) is 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide?
The canonical SMILES for 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide is CCC(CC)N(CCOC)C(CN)CC(=O)NC.
What is the InChIKey of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide?
The InChIKey is QXZVBQINOPPHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-5-11(6-2)16(7-8-18-4)12(10-14)9-13(17)15-3/h11-12H,5-10,14H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide?
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide has a molecular weight of 259.39 g/mol, XLogP of 0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide is sourced from PubChem (CID 66429475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).