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

C11H22N2O3 — CID 107389320

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C11H22N2O3/c1-11(2)15-8-9(16-11)7-13-10(14)5-4-6-12-3/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeySEMIMQVEXGFXRK-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.25
Rot. Bonds6

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide (PubChem CID 107389320) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide
PubChem CID107389320
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C11H22N2O3/c1-11(2)15-8-9(16-11)7-13-10(14)5-4-6-12-3/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeySEMIMQVEXGFXRK-UHFFFAOYSA-N
XLogP0.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4,4-trifluorobutanamide
CID 103800439
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3,3-trifluoropropanamide
CID 103800506
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 53434813
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbutanamide
CID 57594952
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-yloxyacetamide
CID 58215889
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 58758960
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-isocyanoacetamide
CID 59099074
N-[(2-methyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 59912740
N-[[5-(acetamidomethyl)-1,3-dioxolan-4-yl]methyl]acetamide
CID 67194368
2-cyano-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 67340544
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanamide
CID 67582877
(4R,5R)-4-N,5-N-dibutyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
CID 68330788

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide (CID 107389320) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide?
The InChIKey is SEMIMQVEXGFXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2)15-8-9(16-11)7-13-10(14)5-4-6-12-3/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide has a molecular weight of 230.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 107389320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).