N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide

C14H30N2O2 — CID 113219121

IUPACN-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
SMILESCC(C)CCNC(=O)CNCCCOCC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)6-8-16-14(17)10-15-7-5-9-18-11-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyZKTOMXPTWLKXDK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.80
Rot. Bonds11

About N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide

N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide (PubChem CID 113219121) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
PubChem CID113219121
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
SMILESCC(C)CCNC(=O)CNCCCOCC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)6-8-16-14(17)10-15-7-5-9-18-11-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyZKTOMXPTWLKXDK-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.80
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-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
CID 106309954
N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219120
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
CID 167464495
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide (CID 113219121) is N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide is CC(C)CCNC(=O)CNCCCOCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide?
The InChIKey is ZKTOMXPTWLKXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)6-8-16-14(17)10-15-7-5-9-18-11-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide?
N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide has a molecular weight of 258.41 g/mol, XLogP of 1.80, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide is sourced from PubChem (CID 113219121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).