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

C14H28N2O3 — CID 138728413

IUPAC2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
SMILESCC(C)OCC(=O)NCCCCCNC(=O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)14(18)16-9-7-5-6-8-15-13(17)10-19-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyPMSLSHJKDRLCQJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.47
Rot. Bonds10

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

2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide (PubChem CID 138728413) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
PubChem CID138728413
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
SMILESCC(C)OCC(=O)NCCCCCNC(=O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)14(18)16-9-7-5-6-8-15-13(17)10-19-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyPMSLSHJKDRLCQJ-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.47
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

N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
CID 170007814
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
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
2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
CID 161489281
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-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 155459731
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide (CID 138728413) is 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide is CC(C)OCC(=O)NCCCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide?
The InChIKey is PMSLSHJKDRLCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)14(18)16-9-7-5-6-8-15-13(17)10-19-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide?
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide has a molecular weight of 272.39 g/mol, XLogP of 1.47, 10 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]propanamide is sourced from PubChem (CID 138728413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).