N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide

C16H27N3O5 — CID 142016714

IUPACN,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide
SMILESCC1(C)OCC(N(C(=O)N2C=CNC2)C2COC(C)(C)OC2)CO1
InChIInChI=1S/C16H27N3O5/c1-15(2)21-7-12(8-22-15)19(14(20)18-6-5-17-11-18)13-9-23-16(3,4)24-10-13/h5-6,12-13,17H,7-11H2,1-4H3
InChIKeyNFZCQFJXQPIFPF-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.05
Rot. Bonds2

About N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide

N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide (PubChem CID 142016714) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide
PubChem CID142016714
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC NameN,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide
SMILESCC1(C)OCC(N(C(=O)N2C=CNC2)C2COC(C)(C)OC2)CO1
InChIInChI=1S/C16H27N3O5/c1-15(2)21-7-12(8-22-15)19(14(20)18-6-5-17-11-18)13-9-23-16(3,4)24-10-13/h5-6,12-13,17H,7-11H2,1-4H3
InChIKeyNFZCQFJXQPIFPF-UHFFFAOYSA-N
XLogP1.05
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide?
The IUPAC name of N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide (CID 142016714) is N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide.
What is the SMILES notation for N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide?
The canonical SMILES for N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide is CC1(C)OCC(N(C(=O)N2C=CNC2)C2COC(C)(C)OC2)CO1.
What is the InChIKey of N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide?
The InChIKey is NFZCQFJXQPIFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-15(2)21-7-12(8-22-15)19(14(20)18-6-5-17-11-18)13-9-23-16(3,4)24-10-13/h5-6,12-13,17H,7-11H2,1-4H3.
What are the key properties of N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide?
N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2-dimethyl-1,3-dioxan-5-yl)-1,2-dihydroimidazole-3-carboxamide is sourced from PubChem (CID 142016714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).