N-tert-butyl-2-(undecan-6-ylamino)acetamide

C17H36N2O — CID 115355945

IUPACN-tert-butyl-2-(undecan-6-ylamino)acetamide
SMILESCCCCCC(CCCCC)NCC(=O)NC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-6-8-10-12-15(13-11-9-7-2)18-14-16(20)19-17(3,4)5/h15,18H,6-14H2,1-5H3,(H,19,20)
InChIKeyAEPAALDTKQCZEM-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.02
Rot. Bonds11

About N-tert-butyl-2-(undecan-6-ylamino)acetamide

N-tert-butyl-2-(undecan-6-ylamino)acetamide (PubChem CID 115355945) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-tert-butyl-2-(undecan-6-ylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(undecan-6-ylamino)acetamide
PubChem CID115355945
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-tert-butyl-2-(undecan-6-ylamino)acetamide
SMILESCCCCCC(CCCCC)NCC(=O)NC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-6-8-10-12-15(13-11-9-7-2)18-14-16(20)19-17(3,4)5/h15,18H,6-14H2,1-5H3,(H,19,20)
InChIKeyAEPAALDTKQCZEM-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(undecan-6-ylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-methyldecanamide
CID 134368899
N-tert-butyl-2-(1-ethylsulfonylpropan-2-ylamino)acetamide
CID 113350703
2-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
N-butyl-2-(octan-4-ylamino)acetamide
CID 106024887
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
N-tert-butyl-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 115627468
2-(heptadecan-3-ylamino)acetic acid
CID 19902938
N-tert-butyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179840
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
CID 93083112
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
butyl (2S)-2-amino-4-(tert-butylamino)-4-oxobutanoate
CID 170683257
butyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate
CID 118899192

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(undecan-6-ylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(undecan-6-ylamino)acetamide (CID 115355945) is N-tert-butyl-2-(undecan-6-ylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(undecan-6-ylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(undecan-6-ylamino)acetamide is CCCCCC(CCCCC)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(undecan-6-ylamino)acetamide?
The InChIKey is AEPAALDTKQCZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-8-10-12-15(13-11-9-7-2)18-14-16(20)19-17(3,4)5/h15,18H,6-14H2,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-2-(undecan-6-ylamino)acetamide?
N-tert-butyl-2-(undecan-6-ylamino)acetamide has a molecular weight of 284.49 g/mol, XLogP of 4.02, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(undecan-6-ylamino)acetamide is sourced from PubChem (CID 115355945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).