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

C9H17NO3 — CID 67582877

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide
SMILESCCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C9H17NO3/c1-4-8(11)10-5-7-6-12-9(2,3)13-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyDKUQGGDFBSLHQQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.66
Rot. Bonds3

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide (PubChem CID 67582877) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide
PubChem CID67582877
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide
SMILESCCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C9H17NO3/c1-4-8(11)10-5-7-6-12-9(2,3)13-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyDKUQGGDFBSLHQQ-UHFFFAOYSA-N
XLogP0.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide (CID 67582877) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide is CCC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide?
The InChIKey is DKUQGGDFBSLHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-8(11)10-5-7-6-12-9(2,3)13-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.66, 3 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]propanamide is sourced from PubChem (CID 67582877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).