N'-tert-butyl-N-propan-2-ylundecanediamide

C18H36N2O2 — CID 161329550

IUPACN'-tert-butyl-N-propan-2-ylundecanediamide
SMILESCC(C)NC(=O)CCCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-15(2)19-16(21)13-11-9-7-6-8-10-12-14-17(22)20-18(3,4)5/h15H,6-14H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyQYNMTYIKXAVIBA-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.94
Rot. Bonds11

About N'-tert-butyl-N-propan-2-ylundecanediamide

N'-tert-butyl-N-propan-2-ylundecanediamide (PubChem CID 161329550) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N'-tert-butyl-N-propan-2-ylundecanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-propan-2-ylundecanediamide
PubChem CID161329550
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN'-tert-butyl-N-propan-2-ylundecanediamide
SMILESCC(C)NC(=O)CCCCCCCCCC(=O)NC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-15(2)19-16(21)13-11-9-7-6-8-10-12-14-17(22)20-18(3,4)5/h15H,6-14H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyQYNMTYIKXAVIBA-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-di(propan-2-yl)decanediamide
CID 58997511
N,N'-ditert-butylhexanediamide
CID 3593481
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
N-tert-butyl-4-hydroxybutanamide
CID 11829724
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
N-[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]dodecanamide
CID 15610303
N-tert-butyl-7,11-dipropyltetradecanamide
CID 144715726
3-[[amino-(tert-butylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111043478
N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
CID 163866236
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
6-azido-N-propan-2-ylhexanamide
CID 151413918
N-tert-butyl-4-methyldecanamide
CID 134368899

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-propan-2-ylundecanediamide?
The IUPAC name of N'-tert-butyl-N-propan-2-ylundecanediamide (CID 161329550) is N'-tert-butyl-N-propan-2-ylundecanediamide.
What is the SMILES notation for N'-tert-butyl-N-propan-2-ylundecanediamide?
The canonical SMILES for N'-tert-butyl-N-propan-2-ylundecanediamide is CC(C)NC(=O)CCCCCCCCCC(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-propan-2-ylundecanediamide?
The InChIKey is QYNMTYIKXAVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-15(2)19-16(21)13-11-9-7-6-8-10-12-14-17(22)20-18(3,4)5/h15H,6-14H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N'-tert-butyl-N-propan-2-ylundecanediamide?
N'-tert-butyl-N-propan-2-ylundecanediamide has a molecular weight of 312.50 g/mol, XLogP of 3.94, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-propan-2-ylundecanediamide is sourced from PubChem (CID 161329550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).