2-(tert-butylamino)-N-propylacetamide

C9H20N2O — CID 28586578

IUPAC2-(tert-butylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-10-8(12)7-11-9(2,3)4/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyDCAPLVWZJZKQCS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.90
Rot. Bonds4

About 2-(tert-butylamino)-N-propylacetamide

2-(tert-butylamino)-N-propylacetamide (PubChem CID 28586578) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-propylacetamide
PubChem CID28586578
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(tert-butylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-5-6-10-8(12)7-11-9(2,3)4/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyDCAPLVWZJZKQCS-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 60975442
N-(2-butoxyethyl)-2-(tert-butylamino)acetamide
CID 112732351
N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 78972996
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61264989
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725431
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide;hydrochloride
CID 119271446
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide
CID 79400913
N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide
CID 115598615
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-propylacetamide?
The IUPAC name of 2-(tert-butylamino)-N-propylacetamide (CID 28586578) is 2-(tert-butylamino)-N-propylacetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-propylacetamide?
The canonical SMILES for 2-(tert-butylamino)-N-propylacetamide is CCCNC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-propylacetamide?
The InChIKey is DCAPLVWZJZKQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-6-10-8(12)7-11-9(2,3)4/h11H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 2-(tert-butylamino)-N-propylacetamide?
2-(tert-butylamino)-N-propylacetamide has a molecular weight of 172.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-propylacetamide is sourced from PubChem (CID 28586578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).