N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide

C19H21NO4 — CID 87482906

IUPACN-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide
SMILESO=CN(OCc1ccccc1)[C@@H](Cc1ccccc1)C1OCCO1
InChIInChI=1S/C19H21NO4/c21-15-20(24-14-17-9-5-2-6-10-17)18(19-22-11-12-23-19)13-16-7-3-1-4-8-16/h1-10,15,18-19H,11-14H2/t18-/m0/s1
InChIKeyBOYLHOGWQBZTDK-SFHVURJKSA-N
MW327.38 g/mol
LogP2.56
Rot. Bonds8

About N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide

N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide (PubChem CID 87482906) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide
PubChem CID87482906
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide
SMILESO=CN(OCc1ccccc1)[C@@H](Cc1ccccc1)C1OCCO1
InChIInChI=1S/C19H21NO4/c21-15-20(24-14-17-9-5-2-6-10-17)18(19-22-11-12-23-19)13-16-7-3-1-4-8-16/h1-10,15,18-19H,11-14H2/t18-/m0/s1
InChIKeyBOYLHOGWQBZTDK-SFHVURJKSA-N
XLogP2.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[formyl(phenylmethoxy)amino]-3-methylbutanoic acid
CID 174326736
N-cyclopentyl-N-phenylmethoxyformamide
CID 174570352
1-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 10241725
N-methyl-N-phenylmethoxyformamide
CID 57089495
3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
CID 123848169
(4S)-4-[formyl(phenylmethoxy)amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 97050480
N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide
CID 118442063
bis[(4-carbamoylphenyl)-[formyl(phenylmethoxy)amino]methoxy]-oxophosphanium
CID 118309538
3-[4-(5-bromopentoxy)phenyl]-2-[formyl(phenylmethoxy)amino]propanoic acid
CID 56986499
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
3-[4-[4-(3,5-dimethylpiperazin-1-yl)butoxy]phenyl]-2-[formyl(phenylmethoxy)amino]propanoic acid
CID 57224597
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide (CID 87482906) is N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide is O=CN(OCc1ccccc1)[C@@H](Cc1ccccc1)C1OCCO1.
What is the InChIKey of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide?
The InChIKey is BOYLHOGWQBZTDK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO4/c21-15-20(24-14-17-9-5-2-6-10-17)18(19-22-11-12-23-19)13-16-7-3-1-4-8-16/h1-10,15,18-19H,11-14H2/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide?
N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide has a molecular weight of 327.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylethyl]-N-phenylmethoxyformamide is sourced from PubChem (CID 87482906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).