4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide

C14H31N3O2 — CID 82948851

IUPAC4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide
SMILESCOCCN(C(C)C)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H31N3O2/c1-11(2)17(7-8-19-6)12(10-15)9-13(18)16-14(3,4)5/h11-12H,7-10,15H2,1-6H3,(H,16,18)
InChIKeyIRDQSRZMMZMEQT-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.98
Rot. Bonds8

About 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide

4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide (PubChem CID 82948851) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide
PubChem CID82948851
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide
SMILESCOCCN(C(C)C)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H31N3O2/c1-11(2)17(7-8-19-6)12(10-15)9-13(18)16-14(3,4)5/h11-12H,7-10,15H2,1-6H3,(H,16,18)
InChIKeyIRDQSRZMMZMEQT-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
CID 102730394
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
CID 66431224
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
4-amino-3-[ethyl(2-methoxyethyl)amino]-N-methylbutanamide
CID 66427989
2-[2-aminoethyl(2-methoxyethyl)amino]-N-tert-butylpropanamide
CID 113468478
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide (CID 82948851) is 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide is COCCN(C(C)C)C(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide?
The InChIKey is IRDQSRZMMZMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-11(2)17(7-8-19-6)12(10-15)9-13(18)16-14(3,4)5/h11-12H,7-10,15H2,1-6H3,(H,16,18).
What are the key properties of 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide?
4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide has a molecular weight of 273.42 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 82948851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).