N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide

C12H25N3O2 — CID 78972996

IUPACN-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CNC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)11(17)14-7-6-13-10(16)8-15-12(3,4)5/h9,15H,6-8H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyPODBRWSVQLQUFL-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.26
Rot. Bonds6

About N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide

N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide (PubChem CID 78972996) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
PubChem CID78972996
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)CNC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)11(17)14-7-6-13-10(16)8-15-12(3,4)5/h9,15H,6-8H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyPODBRWSVQLQUFL-UHFFFAOYSA-N
XLogP0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butylamino)-N-propylacetamide
CID 28586578
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 78958479
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725431
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
N-(2-butoxyethyl)-2-(tert-butylamino)acetamide
CID 112732351
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)-1-hydroxypropan-2-yl]acetamide
CID 107218468

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide (CID 78972996) is N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)CNC(C)(C)C.
What is the InChIKey of N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is PODBRWSVQLQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)11(17)14-7-6-13-10(16)8-15-12(3,4)5/h9,15H,6-8H2,1-5H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 78972996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).