N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide

C16H30N2O3 — CID 56540109

IUPACN-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1CCOC1
InChIInChI=1S/C16H30N2O3/c1-3-9-18(10-4-2)16(20)7-5-6-15(19)17-12-14-8-11-21-13-14/h14H,3-13H2,1-2H3,(H,17,19)
InChIKeyQCFWXXGOMSKXCV-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.96
Rot. Bonds10

About N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide

N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide (PubChem CID 56540109) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide
PubChem CID56540109
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1CCOC1
InChIInChI=1S/C16H30N2O3/c1-3-9-18(10-4-2)16(20)7-5-6-15(19)17-12-14-8-11-21-13-14/h14H,3-13H2,1-2H3,(H,17,19)
InChIKeyQCFWXXGOMSKXCV-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
CID 119514736
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride
CID 119514735
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 123263436
(2E,4E)-N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 88991000
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
N-[2-(aminomethyl)cyclohexyl]-N',N'-dipropylpentanediamide
CID 119612503
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide (CID 56540109) is N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide?
The InChIKey is QCFWXXGOMSKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-9-18(10-4-2)16(20)7-5-6-15(19)17-12-14-8-11-21-13-14/h14H,3-13H2,1-2H3,(H,17,19).
What are the key properties of N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide?
N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide has a molecular weight of 298.43 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56540109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).