(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

C19H32N2O4 — CID 981369

IUPAC(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1(C)O[C@H](C(=O)NC2CCCCC2)[C@@H](C(=O)NC2CCCCC2)O1
InChIInChI=1S/C19H32N2O4/c1-19(2)24-15(17(22)20-13-9-5-3-6-10-13)16(25-19)18(23)21-14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeyYGCRKAQQHPNVDW-HOTGVXAUSA-N
MW352.48 g/mol
LogP2.40
Rot. Bonds4

About (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 981369) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID981369
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1(C)O[C@H](C(=O)NC2CCCCC2)[C@@H](C(=O)NC2CCCCC2)O1
InChIInChI=1S/C19H32N2O4/c1-19(2)24-15(17(22)20-13-9-5-3-6-10-13)16(25-19)18(23)21-14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1
InChIKeyYGCRKAQQHPNVDW-HOTGVXAUSA-N
XLogP2.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (CID 981369) is (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is CC1(C)O[C@H](C(=O)NC2CCCCC2)[C@@H](C(=O)NC2CCCCC2)O1.
What is the InChIKey of (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is YGCRKAQQHPNVDW-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-19(2)24-15(17(22)20-13-9-5-3-6-10-13)16(25-19)18(23)21-14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3,(H,20,22)(H,21,23)/t15-,16-/m0/s1.
What are the key properties of (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 981369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).