N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide

C19H30N2O2 — CID 108951516

IUPACN'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-12(2)14-9-8-10-15(13(3)4)18(14)20-16(22)11-17(23)21-19(5,6)7/h8-10,12-13H,11H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyWVQZLDYVDIBGPU-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.18
Rot. Bonds5

About N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide

N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide (PubChem CID 108951516) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
PubChem CID108951516
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-12(2)14-9-8-10-15(13(3)4)18(14)20-16(22)11-17(23)21-19(5,6)7/h8-10,12-13H,11H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyWVQZLDYVDIBGPU-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
methyl 2-[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956307
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
CID 8767340
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 109009934

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide?
The IUPAC name of N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide (CID 108951516) is N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide.
What is the SMILES notation for N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide?
The canonical SMILES for N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide is CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide?
The InChIKey is WVQZLDYVDIBGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-12(2)14-9-8-10-15(13(3)4)18(14)20-16(22)11-17(23)21-19(5,6)7/h8-10,12-13H,11H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide?
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide has a molecular weight of 318.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide is sourced from PubChem (CID 108951516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).