N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide

C15H30N2O2 — CID 22972676

IUPACN'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide
SMILESCCCCC(C(N)=O)C(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-7-8-9-11(13(16)18)12(10(2)3)14(19)17-15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,18)(H,17,19)
InChIKeyOTCUNAUKDHGSPZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.46
Rot. Bonds7

About N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide

N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide (PubChem CID 22972676) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide
PubChem CID22972676
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide
SMILESCCCCC(C(N)=O)C(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O2/c1-7-8-9-11(13(16)18)12(10(2)3)14(19)17-15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,18)(H,17,19)
InChIKeyOTCUNAUKDHGSPZ-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide
CID 22972709
N'-tert-butyl-2-(2-cyclopentylethyl)-3-propan-2-ylbutanediamide
CID 22972622
N'-tert-butyl-2-butyl-3-(cyclopropylmethyl)butanediamide
CID 22972674
N-carbamoyl-2-propan-2-ylhexanamide
CID 175202627
N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
methyl 3-hydroxy-2-propan-2-ylheptanoate
CID 62397377
3-carbamoylheptane-2-sulfonic acid
CID 122612183
N-[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]dodecanamide
CID 15610303
2-(1-aminoethyl)hexadecanamide
CID 18355676
3-methyl-2-tetradecylhenicosanamide
CID 175222412
2-methylhexanamide
CID 2828737
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103997677

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide?
The IUPAC name of N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide (CID 22972676) is N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide.
What is the SMILES notation for N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide?
The canonical SMILES for N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide is CCCCC(C(N)=O)C(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide?
The InChIKey is OTCUNAUKDHGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-8-9-11(13(16)18)12(10(2)3)14(19)17-15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,18)(H,17,19).
What are the key properties of N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide?
N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide has a molecular weight of 270.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide is sourced from PubChem (CID 22972676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).