N-[2-[tert-butyl(methyl)amino]ethyl]acetamide

C9H20N2O — CID 89022551

IUPACN-[2-[tert-butyl(methyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-8(12)10-6-7-11(5)9(2,3)4/h6-7H2,1-5H3,(H,10,12)
InChIKeyFXNKMWQJXAMEBT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds3

About N-[2-[tert-butyl(methyl)amino]ethyl]acetamide

N-[2-[tert-butyl(methyl)amino]ethyl]acetamide (PubChem CID 89022551) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[2-[tert-butyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methyl)amino]ethyl]acetamide
PubChem CID89022551
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[2-[tert-butyl(methyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-8(12)10-6-7-11(5)9(2,3)4/h6-7H2,1-5H3,(H,10,12)
InChIKeyFXNKMWQJXAMEBT-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[tert-butyl(methyl)amino]methyl]acetamide
CID 59035118
N-[2-(diacetylamino)ethyl]acetamide
CID 536138
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]acetamide
CID 79038056
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
N-[2-[iodomethyl(methyl)amino]ethyl]acetamide
CID 142973324
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
CID 115205666
N-[8-[hydroxy(methyl)amino]octyl]acetamide
CID 171589323
N-(3-acetamidopropyl)acetamide
CID 5147555
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[tert-butyl(methyl)amino]ethyl]acetamide (CID 89022551) is N-[2-[tert-butyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[tert-butyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[tert-butyl(methyl)amino]ethyl]acetamide is CC(=O)NCCN(C)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl(methyl)amino]ethyl]acetamide?
The InChIKey is FXNKMWQJXAMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(12)10-6-7-11(5)9(2,3)4/h6-7H2,1-5H3,(H,10,12).
What are the key properties of N-[2-[tert-butyl(methyl)amino]ethyl]acetamide?
N-[2-[tert-butyl(methyl)amino]ethyl]acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 89022551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).