2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide

C15H30N2O3 — CID 166845915

IUPAC2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
SMILESCCC(C)C(=O)NCCCCCNC(=O)COC(C)C
InChIInChI=1S/C15H30N2O3/c1-5-13(4)15(19)17-10-8-6-7-9-16-14(18)11-20-12(2)3/h12-13H,5-11H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNUKFGTXIABCVBK-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.86
Rot. Bonds11

About 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide

2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide (PubChem CID 166845915) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
PubChem CID166845915
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
SMILESCCC(C)C(=O)NCCCCCNC(=O)COC(C)C
InChIInChI=1S/C15H30N2O3/c1-5-13(4)15(19)17-10-8-6-7-9-16-14(18)11-20-12(2)3/h12-13H,5-11H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNUKFGTXIABCVBK-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
CID 170007814
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
N-(5-chloropentyl)-2-methylbutanamide
CID 107321428

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide?
The IUPAC name of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide (CID 166845915) is 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide.
What is the SMILES notation for 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide?
The canonical SMILES for 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide is CCC(C)C(=O)NCCCCCNC(=O)COC(C)C.
What is the InChIKey of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide?
The InChIKey is NUKFGTXIABCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-13(4)15(19)17-10-8-6-7-9-16-14(18)11-20-12(2)3/h12-13H,5-11H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide?
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide has a molecular weight of 286.42 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide is sourced from PubChem (CID 166845915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).