N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine

C19H23NO3 — CID 2753971

IUPACN-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine
SMILESCC1(C)OC[C@H]([C@H](c2ccccc2)N(O)Cc2ccccc2)O1
InChIInChI=1S/C19H23NO3/c1-19(2)22-14-17(23-19)18(16-11-7-4-8-12-16)20(21)13-15-9-5-3-6-10-15/h3-12,17-18,21H,13-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyIHVMYGDTMWXZQI-MSOLQXFVSA-N
MW313.40 g/mol
LogP3.77
Rot. Bonds5

About N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine

N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine (PubChem CID 2753971) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine
PubChem CID2753971
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine
SMILESCC1(C)OC[C@H]([C@H](c2ccccc2)N(O)Cc2ccccc2)O1
InChIInChI=1S/C19H23NO3/c1-19(2)22-14-17(23-19)18(16-11-7-4-8-12-16)20(21)13-15-9-5-3-6-10-15/h3-12,17-18,21H,13-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyIHVMYGDTMWXZQI-MSOLQXFVSA-N
XLogP3.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine?
The IUPAC name of N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine (CID 2753971) is N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine is CC1(C)OC[C@H]([C@H](c2ccccc2)N(O)Cc2ccccc2)O1.
What is the InChIKey of N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine?
The InChIKey is IHVMYGDTMWXZQI-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2)22-14-17(23-19)18(16-11-7-4-8-12-16)20(21)13-15-9-5-3-6-10-15/h3-12,17-18,21H,13-14H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine?
N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine has a molecular weight of 313.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethyl]hydroxylamine is sourced from PubChem (CID 2753971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).