N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide

C13H28N2O2 — CID 113219120

IUPACN-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
SMILESCC(C)COCCCNCC(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)10-17-8-6-7-14-9-12(16)15-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeySKSMOACUKIBBED-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.55
Rot. Bonds8

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

N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide (PubChem CID 113219120) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
PubChem CID113219120
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide
SMILESCC(C)COCCCNCC(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)10-17-8-6-7-14-9-12(16)15-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeySKSMOACUKIBBED-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.55
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-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219121
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865
2-(3-ethoxypropylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60672261
2-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 104936506
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
CID 115356547
3-methyl-3-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 114098397
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide (CID 113219120) is N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide is CC(C)COCCCNCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide?
The InChIKey is SKSMOACUKIBBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)10-17-8-6-7-14-9-12(16)15-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide?
N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide has a molecular weight of 244.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(2-methylpropoxy)propylamino]acetamide is sourced from PubChem (CID 113219120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).