(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide

C19H21BrN2O4 — CID 1219362

IUPAC(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
SMILESCCOc1ccc(OC)cc1C=NNC(=O)[C@H](C)Oc1ccccc1Br
InChIInChI=1S/C19H21BrN2O4/c1-4-25-17-10-9-15(24-3)11-14(17)12-21-22-19(23)13(2)26-18-8-6-5-7-16(18)20/h5-13H,4H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyVMUUJALQHWJZLY-ZDUSSCGKSA-N
MW421.29 g/mol
LogP3.77
Rot. Bonds8

About (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide

(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide (PubChem CID 1219362) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
PubChem CID1219362
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
SMILESCCOc1ccc(OC)cc1C=NNC(=O)[C@H](C)Oc1ccccc1Br
InChIInChI=1S/C19H21BrN2O4/c1-4-25-17-10-9-15(24-3)11-14(17)12-21-22-19(23)13(2)26-18-8-6-5-7-16(18)20/h5-13H,4H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyVMUUJALQHWJZLY-ZDUSSCGKSA-N
XLogP3.77
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 3977922
2-(4-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 5185765
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 171979500
2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 4068820
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 6002261
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 6872996
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide (CID 1219362) is (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide is CCOc1ccc(OC)cc1C=NNC(=O)[C@H](C)Oc1ccccc1Br.
What is the InChIKey of (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is VMUUJALQHWJZLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-4-25-17-10-9-15(24-3)11-14(17)12-21-22-19(23)13(2)26-18-8-6-5-7-16(18)20/h5-13H,4H2,1-3H3,(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide?
(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 421.29 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 1219362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).