N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide

C19H39N3O3 — CID 156819572

IUPACN-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide
SMILESCCC(C)OCC(=O)NCCCCCCCCNC(=O)CN(C)CC
InChIInChI=1S/C19H39N3O3/c1-5-17(3)25-16-19(24)21-14-12-10-8-7-9-11-13-20-18(23)15-22(4)6-2/h17H,5-16H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKYBXKGLEIHCDAH-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.33
Rot. Bonds16

About N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide

N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide (PubChem CID 156819572) has the molecular formula C19H39N3O3 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide
PubChem CID156819572
Molecular FormulaC19H39N3O3
Molecular Weight357.54 g/mol
Exact Mass357.30
IUPAC NameN-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide
SMILESCCC(C)OCC(=O)NCCCCCCCCNC(=O)CN(C)CC
InChIInChI=1S/C19H39N3O3/c1-5-17(3)25-16-19(24)21-14-12-10-8-7-9-11-13-20-18(23)15-22(4)6-2/h17H,5-16H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKYBXKGLEIHCDAH-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-butan-2-yloxyacetyl)amino]propanoic acid
CID 120515273
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
2-[methyl(2-methylpropyl)amino]-N-(7-methyloctyl)acetamide
CID 156547005
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
2-[2-[ethyl(methyl)amino]ethoxy]-N-hexylacetamide
CID 170742438
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
CID 170007814
2-methyl-3-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 55007746
2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
CID 43442393
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227

Frequently Asked Questions

What is the IUPAC name of N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide?
The IUPAC name of N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide (CID 156819572) is N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide?
The canonical SMILES for N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide is CCC(C)OCC(=O)NCCCCCCCCNC(=O)CN(C)CC.
What is the InChIKey of N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide?
The InChIKey is KYBXKGLEIHCDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O3/c1-5-17(3)25-16-19(24)21-14-12-10-8-7-9-11-13-20-18(23)15-22(4)6-2/h17H,5-16H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide?
N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide has a molecular weight of 357.54 g/mol, XLogP of 2.33, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2-butan-2-yloxyacetyl)amino]octyl]-2-[ethyl(methyl)amino]acetamide is sourced from PubChem (CID 156819572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).