N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide

C15H28N2O2 — CID 108958979

IUPACN-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)17-13(19)15(4,5)12(18)16-11-9-7-6-8-10-11/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyQZCHFSYHNPATTC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.38
Rot. Bonds3

About N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide

N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide (PubChem CID 108958979) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
PubChem CID108958979
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)17-13(19)15(4,5)12(18)16-11-9-7-6-8-10-11/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyQZCHFSYHNPATTC-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.38
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

N-Cyclohexylacetoacetamide
CID 70805
Propanediamide, N,N'-dicyclohexyl-
CID 202372
N-(3-acetamidocyclohexyl)acetamide
CID 539631
N-[4-(propanoylamino)cyclohexyl]propanamide
CID 898169
3-Amino-N-cyclohexylpropanamide
CID 16784326
N-cyclohexyl-2,2-dimethylpropanamide
CID 528629
cis-1,3-Diacetamidocyclohexane
CID 243900
2,2-dimethyl-N-[(1r,4r)-4-aminocyclohexyl]propanamide hydrochloride
CID 86277426
N-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-2,2-dimethylpropanamide
CID 4690673
2,2-Dimethyl-N-[(1s,4s)-4-aminocyclohexyl]propanamide
CID 18460921
N,N'-(Cyclohexane-1,3-diyl)diethanimidic acid
CID 243899
N'-cyclohexylpropanediamide
CID 15154632

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide?
The IUPAC name of N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide (CID 108958979) is N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide is CC(C)(C)NC(=O)C(C)(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide?
The InChIKey is QZCHFSYHNPATTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)17-13(19)15(4,5)12(18)16-11-9-7-6-8-10-11/h11H,6-10H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide?
N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide has a molecular weight of 268.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).