(NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine

C19H30N2O3 — CID 89293921

IUPAC(NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine
SMILESCOCCOc1ccc(CN2CCCC2C/C(C)=N\O)c(C)c1C
InChIInChI=1S/C19H30N2O3/c1-14(20-22)12-18-6-5-9-21(18)13-17-7-8-19(16(3)15(17)2)24-11-10-23-4/h7-8,18,22H,5-6,9-13H2,1-4H3/b20-14-
InChIKeyXJUWUJPPCRTKNF-ZHZULCJRSA-N
MW334.46 g/mol
LogP3.53
Rot. Bonds8

About (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine

(NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine (PubChem CID 89293921) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine
PubChem CID89293921
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine
SMILESCOCCOc1ccc(CN2CCCC2C/C(C)=N\O)c(C)c1C
InChIInChI=1S/C19H30N2O3/c1-14(20-22)12-18-6-5-9-21(18)13-17-7-8-19(16(3)15(17)2)24-11-10-23-4/h7-8,18,22H,5-6,9-13H2,1-4H3/b20-14-
InChIKeyXJUWUJPPCRTKNF-ZHZULCJRSA-N
XLogP3.53
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
CID 77096973
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
CID 2838370
[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
CID 77082765
2-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371710
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 103172885
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine (CID 89293921) is (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine is COCCOc1ccc(CN2CCCC2C/C(C)=N\O)c(C)c1C.
What is the InChIKey of (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
The InChIKey is XJUWUJPPCRTKNF-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(20-22)12-18-6-5-9-21(18)13-17-7-8-19(16(3)15(17)2)24-11-10-23-4/h7-8,18,22H,5-6,9-13H2,1-4H3/b20-14-.
What are the key properties of (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine has a molecular weight of 334.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[1-[[4-(2-methoxyethoxy)-2,3-dimethylphenyl]methyl]pyrrolidin-2-yl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 89293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).