N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide

C16H31NO4 — CID 146656254

IUPACN-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCC1COC(OC)O1
InChIInChI=1S/C16H31NO4/c1-3-4-5-6-7-8-9-10-11-15(18)17-12-14-13-20-16(19-2)21-14/h14,16H,3-13H2,1-2H3,(H,17,18)
InChIKeyGRKCRYWTRGMGNI-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.98
Rot. Bonds12

About N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide

N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide (PubChem CID 146656254) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide
PubChem CID146656254
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC NameN-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide
SMILESCCCCCCCCCCC(=O)NCC1COC(OC)O1
InChIInChI=1S/C16H31NO4/c1-3-4-5-6-7-8-9-10-11-15(18)17-12-14-13-20-16(19-2)21-14/h14,16H,3-13H2,1-2H3,(H,17,18)
InChIKeyGRKCRYWTRGMGNI-UHFFFAOYSA-N
XLogP2.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R,4S)-4-methoxyoxolan-2-yl]methyl]nonanamide
CID 90969761
4,4,6,6,6-pentafluoro-N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]hexanamide
CID 159266230
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
2-[(2R,6R)-6-[(hexadecanoylamino)methyl]-4,4-dimethylmorpholin-4-ium-2-yl]acetic acid
CID 71450823
10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
CID 87578056
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
CID 102548386
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
methyl (4R,4aS,8R,8aR)-8-[(decanoylamino)methyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylate
CID 177458175

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide?
The IUPAC name of N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide (CID 146656254) is N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide?
The canonical SMILES for N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide is CCCCCCCCCCC(=O)NCC1COC(OC)O1.
What is the InChIKey of N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide?
The InChIKey is GRKCRYWTRGMGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-3-4-5-6-7-8-9-10-11-15(18)17-12-14-13-20-16(19-2)21-14/h14,16H,3-13H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide?
N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide has a molecular weight of 301.43 g/mol, XLogP of 2.98, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dioxolan-4-yl)methyl]undecanamide is sourced from PubChem (CID 146656254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).