N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide

C16H32N2O2 — CID 3067808

IUPACN-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCCCN(CCCC)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-6-8-12-18(13-9-7-2)14(19)10-11-17-15(20)16(3,4)5/h6-13H2,1-5H3,(H,17,20)
InChIKeyDROCXHZAQZFREE-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.97
Rot. Bonds9

About N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 3067808) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID3067808
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCCCCN(CCCC)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-6-8-12-18(13-9-7-2)14(19)10-11-17-15(20)16(3,4)5/h6-13H2,1-5H3,(H,17,20)
InChIKeyDROCXHZAQZFREE-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 3067808) is N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide is CCCCN(CCCC)C(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is DROCXHZAQZFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-8-12-18(13-9-7-2)14(19)10-11-17-15(20)16(3,4)5/h6-13H2,1-5H3,(H,17,20).
What are the key properties of N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 284.44 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3067808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).