N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide

C14H27NO3 — CID 103842930

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-5-7-11(8-6-2)13(16)15-9-12-10-17-14(3,4)18-12/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyBRVWSXULZDJNPG-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.47
Rot. Bonds7

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide (PubChem CID 103842930) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
PubChem CID103842930
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-5-7-11(8-6-2)13(16)15-9-12-10-17-14(3,4)18-12/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyBRVWSXULZDJNPG-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide
CID 113357238
2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 107389066
(2R)-2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 107389469
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-propylpentanoate;ethane
CID 142383371
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
CID 107390241
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethoxyacetamide
CID 103762450
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide
CID 157188854
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 113264633
1-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentane-1-carboxamide
CID 107389480

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide (CID 103842930) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide?
The InChIKey is BRVWSXULZDJNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-11(8-6-2)13(16)15-9-12-10-17-14(3,4)18-12/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide has a molecular weight of 257.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 103842930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).