N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide

C33H32N2O4 — CID 14963849

IUPACN-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide
SMILESCC1(C)O[C@@H](C(NC=O)(c2ccccc2)c2ccccc2)[C@H](C(NC=O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C33H32N2O4/c1-31(2)38-29(32(34-23-36,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(39-31)33(35-24-37,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24,29-30H,1-2H3,(H,34,36)(H,35,37)/t29-,30-/m1/s1
InChIKeyHWXLNOGFUUQBNM-LOYHVIPDSA-N
MW520.63 g/mol
LogP4.89
Rot. Bonds10

About N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide

N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide (PubChem CID 14963849) has the molecular formula C33H32N2O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide.

Molecular Properties

Compound NameN-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide
PubChem CID14963849
Molecular FormulaC33H32N2O4
Molecular Weight520.63 g/mol
Exact Mass520.24
IUPAC NameN-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide
SMILESCC1(C)O[C@@H](C(NC=O)(c2ccccc2)c2ccccc2)[C@H](C(NC=O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C33H32N2O4/c1-31(2)38-29(32(34-23-36,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(39-31)33(35-24-37,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24,29-30H,1-2H3,(H,34,36)(H,35,37)/t29-,30-/m1/s1
InChIKeyHWXLNOGFUUQBNM-LOYHVIPDSA-N
XLogP4.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide?
The IUPAC name of N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide (CID 14963849) is N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide.
What is the SMILES notation for N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide?
The canonical SMILES for N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide is CC1(C)O[C@@H](C(NC=O)(c2ccccc2)c2ccccc2)[C@H](C(NC=O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide?
The InChIKey is HWXLNOGFUUQBNM-LOYHVIPDSA-N. The full InChI is InChI=1S/C33H32N2O4/c1-31(2)38-29(32(34-23-36,25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(39-31)33(35-24-37,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24,29-30H,1-2H3,(H,34,36)(H,35,37)/t29-,30-/m1/s1.
What are the key properties of N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide?
N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide has a molecular weight of 520.63 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S,5S)-5-[formamido(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]formamide is sourced from PubChem (CID 14963849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).