N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine

C15H22N2O3 — CID 20988948

IUPACN-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)ccc1OCCN1CCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-15-11-13(12-16-18)5-6-14(15)20-10-9-17-7-3-4-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeySZPZQGZZFAVUMH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.37
Rot. Bonds7

About N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine

N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 20988948) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
PubChem CID20988948
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)ccc1OCCN1CCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-15-11-13(12-16-18)5-6-14(15)20-10-9-17-7-3-4-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3
InChIKeySZPZQGZZFAVUMH-UHFFFAOYSA-N
XLogP2.37
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 22680522
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[[3-ethoxy-4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984739
N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20986071
3-ethoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 20993050
N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 20985165
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
(NZ)-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine;hydrochloride
CID 88520305
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
(E)-3-[3-ethoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 39102581
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine (CID 20988948) is N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine is CCOc1cc(C=NO)ccc1OCCN1CCCC1.
What is the InChIKey of N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is SZPZQGZZFAVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-15-11-13(12-16-18)5-6-14(15)20-10-9-17-7-3-4-8-17/h5-6,11-12,18H,2-4,7-10H2,1H3.
What are the key properties of N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine?
N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 278.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20988948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).